data_1v1c_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 1v1c _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 ' 2' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.647 0.26 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -122.32 110.23 15.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.864 0.364 . . . . 0.0 111.623 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.537 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 42.9 mt -85.41 114.46 25.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.108 179.436 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -97.77 158.82 15.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.695 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -124.63 141.29 45.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.47 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.8 t -85.87 108.72 17.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.821 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.7 p -109.67 17.56 21.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.479 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -141.89 12.27 2.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.395 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.2 t70 63.78 152.91 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.962 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -151.0 93.6 1.95 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.888 0.375 . . . . 0.0 110.972 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.507 HD22 HH11 ' A' ' 24' ' ' ARG . 95.0 mt -116.27 109.31 44.49 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.913 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -57.89 120.12 7.81 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.423 2.082 . . . . 0.0 112.45 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 83.8 mt -87.6 96.6 10.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.634 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.17 -138.72 14.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.422 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -118.12 108.94 15.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.779 0.323 . . . . 0.0 111.163 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -108.92 126.41 53.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.624 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.619 HE21 ' H ' ' A' ' 19' ' ' ASP . 22.3 tp60 -82.5 142.07 32.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.962 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.619 ' H ' HE21 ' A' ' 18' ' ' GLN . 28.9 m-20 61.34 24.22 14.36 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.09 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -112.75 158.79 19.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.271 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.444 ' HB ' ' HA2' ' A' ' 55' ' ' GLY . 17.4 tt -130.47 144.65 37.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.873 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 78.2 p -77.95 149.98 34.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.022 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.47 HD12 HG13 ' A' ' 57' ' ' VAL . 55.8 mt -145.77 152.63 39.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.237 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.507 HH11 HD22 ' A' ' 12' ' ' LEU . 29.0 mmm180 -119.24 138.96 52.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.654 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -57.22 99.83 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 126.21 20.82 1.95 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.243 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -101.02 161.35 13.66 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 120.76 0.314 . . . . 0.0 111.028 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -122.74 135.06 54.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.736 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.0 p -159.54 123.49 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.975 0.417 . . . . 0.0 111.954 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.537 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 10.0 pt-20 -78.85 153.24 30.76 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.983 179.118 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.491 ' HA ' HG13 ' A' ' 42' ' ' VAL . 14.1 p -90.21 135.75 25.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.917 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 83.7 mt -85.7 -66.55 0.89 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.111 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -138.75 151.66 47.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.042 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -102.58 108.3 19.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.016 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -92.19 -77.91 0.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.297 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -113.39 145.17 32.72 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.972 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -56.68 -21.7 40.58 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.69 2.26 . . . . 0.0 112.259 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.417 ' N ' HD13 ' A' ' 38' ' ' LEU . 6.7 mp -68.86 -49.53 57.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.953 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.484 ' HE ' ' HB3' ' A' ' 56' ' ' TRP . 12.5 ptm180 -147.11 132.25 18.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 25.0 m0 -103.64 155.85 18.25 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.236 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 38.1 tp -79.4 126.24 30.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.636 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.491 HG13 ' HA ' ' A' ' 31' ' ' VAL . 29.5 m -138.49 154.32 27.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.314 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -141.57 116.97 10.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.77 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 65.1 p -58.79 154.69 14.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.196 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -91.61 132.11 34.21 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.973 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo . . . . . 0 C--N 1.349 0.584 0 C-N-CA 122.313 2.009 . . . . 0.0 112.204 179.847 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo . . . . . 0 C--O 1.232 0.188 0 CA-C-O 120.783 0.243 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 77.8 p -82.1 126.08 31.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.996 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -109.65 148.1 31.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -123.58 127.14 47.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.128 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.444 ' HA2' ' HB ' ' A' ' 21' ' ' ILE . . . -151.76 151.76 23.62 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.325 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.484 ' HB3' ' HE ' ' A' ' 39' ' ' ARG . 78.0 m95 -77.42 135.79 38.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.634 0.255 . . . . 0.0 110.539 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.47 HG13 HD12 ' A' ' 23' ' ' LEU . 26.6 m -131.23 166.05 29.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.28 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 52.9 m -92.28 119.85 67.93 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.51 -3.67 13.87 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.415 2.077 . . . . 0.0 112.643 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.42 -5.03 42.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.105 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -128.04 6.8 6.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.6 mp -109.25 131.51 55.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.901 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -109.08 146.41 34.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.799 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 -62.39 126.81 28.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.843 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -142.25 136.75 30.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.815 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.6 pp . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.232 -179.832 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.468 ' HB3' ' HB2' ' A' ' 30' ' ' GLU . 86.0 m-85 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.702 0.287 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -122.27 111.35 16.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.863 0.363 . . . . 0.0 111.447 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.612 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 45.6 mt -84.51 136.55 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -114.54 160.12 19.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.664 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.69 135.35 63.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.391 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.0 t -87.56 125.94 41.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.763 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.7 p -129.93 18.48 5.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.273 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -135.43 8.06 3.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.323 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.5 t70 57.14 90.34 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.755 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -103.54 98.55 8.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.027 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 pp -117.1 142.39 29.93 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.726 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.483 ' HD3' ' HA ' ' A' ' 22' ' ' THR . 39.8 Cg_exo -58.85 120.35 8.18 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.44 2.094 . . . . 0.0 112.404 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 86.3 mt -81.64 95.88 7.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.238 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 86.67 -122.3 6.07 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.173 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -127.24 102.33 6.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.815 0.341 . . . . 0.0 111.137 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -109.83 153.07 24.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -95.56 144.94 25.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.02 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 58.96 21.25 9.03 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.09 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -108.34 148.6 29.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.183 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.476 ' HB ' ' HA2' ' A' ' 55' ' ' GLY . 17.8 tt -121.94 147.72 25.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.835 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.483 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 45.6 m -83.79 115.67 22.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.378 -179.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 76.0 mt -110.03 154.89 22.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.721 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -118.68 143.62 46.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.688 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -61.38 101.89 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.771 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 120.0 17.62 4.51 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.332 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -101.33 144.02 30.67 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 120.784 0.326 . . . . 0.0 111.01 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -108.89 139.31 43.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.682 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.455 HG23 ' HB ' ' A' ' 42' ' ' VAL . 2.1 p -159.2 123.52 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.464 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.612 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 11.0 pt-20 -75.5 153.48 37.49 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.94 178.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.451 ' HA ' HG13 ' A' ' 42' ' ' VAL . 14.5 p -92.43 142.61 12.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.252 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 71.2 mt -106.08 -70.44 0.79 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.884 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -115.1 166.57 11.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -110.36 -61.61 1.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.941 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 59.76 -87.11 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.409 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -87.75 119.56 70.63 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.595 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -51.08 -28.44 24.96 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.714 2.276 . . . . 0.0 112.664 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.3 tt -72.53 -63.57 1.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.741 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -113.09 130.02 56.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 30.7 m0 -105.76 154.86 19.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.223 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 64.1 tp -80.33 130.95 35.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.426 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.455 ' HB ' HG23 ' A' ' 29' ' ' VAL . 27.1 m -135.01 155.42 38.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.922 0.391 . . . . 0.0 111.402 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -136.97 111.73 8.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.63 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 65.2 p -53.54 121.98 8.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.338 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -64.94 116.93 34.08 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.689 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo . . . . . 0 C--N 1.349 0.553 0 C-N-CA 122.47 2.114 . . . . 0.0 112.767 -179.672 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.692 0.205 . . . . 0.0 112.323 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.4 t -85.61 142.83 28.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.782 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -134.58 157.03 47.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.948 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -127.12 131.72 50.74 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.476 ' HA2' ' HB ' ' A' ' 21' ' ' ILE . . . -151.27 162.39 29.49 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.65 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 52.4 m95 -104.31 115.34 30.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.745 0.307 . . . . 0.0 110.711 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.5 m -130.45 166.76 27.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.253 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.1 m -84.54 115.12 59.08 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.02 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.412 ' HA ' HD23 ' A' ' 62' ' ' LEU . 58.5 Cg_endo -71.12 -2.44 11.12 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.385 2.057 . . . . 0.0 112.439 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.68 -37.87 85.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.041 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -90.89 8.0 37.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.721 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 59' ' ' PRO . 4.9 mp -100.97 167.63 10.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.084 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -133.75 137.13 45.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.752 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 65.4 mtm180 -65.61 133.98 52.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.258 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 63.6 ttt-85 -137.4 126.83 24.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.664 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 98.7 mt . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.017 179.939 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.735 0.302 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -118.17 102.92 9.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.391 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.614 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 37.5 mt -84.53 133.04 30.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.002 179.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -111.48 156.34 21.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.935 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.6 p -119.49 128.1 75.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.033 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.9 t -80.23 113.64 19.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.405 ' HA ' ' HG3' ' A' ' 25' ' ' GLU . 41.4 p -128.21 32.73 4.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.415 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -149.52 3.89 0.58 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.634 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 61.58 111.86 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.102 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -127.9 102.99 7.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.087 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.8 tp -117.26 122.25 31.33 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.808 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.4 138.6 85.23 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.381 2.054 . . . . 0.0 112.264 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.0 mt -106.63 96.6 6.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.698 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.35 -139.12 14.71 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.516 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -122.02 109.53 14.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.782 0.325 . . . . 0.0 111.093 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -112.23 115.3 28.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -76.22 148.38 37.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 57.91 20.16 6.45 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.314 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -105.64 170.59 7.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.821 0.343 . . . . 0.0 111.053 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 17.2 tt -137.5 137.36 45.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.948 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.1 t -71.56 147.17 47.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.067 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.435 HD12 HG12 ' A' ' 57' ' ' VAL . 96.0 mt -132.0 156.15 46.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.009 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 -137.35 139.98 41.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.732 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.405 ' HG3' ' HA ' ' A' ' 8' ' ' THR . 38.9 tt0 -59.04 103.98 0.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.08 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 127.32 4.7 5.8 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.698 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -101.45 155.59 17.97 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 120.866 0.365 . . . . 0.0 111.154 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -118.43 140.58 49.64 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.535 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.4 p -159.04 123.89 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.614 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 9.5 pt-20 -74.96 153.23 38.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.054 178.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.518 ' HA ' HG13 ' A' ' 42' ' ' VAL . 14.8 p -94.94 144.66 9.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.219 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 93.1 mt -104.98 -71.42 0.74 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.529 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -60.72 -77.97 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.791 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.52 87.34 0.1 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.996 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -143.04 -73.86 0.28 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.326 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 71.6 m80 -84.25 125.02 73.29 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -51.79 -23.01 14.81 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.669 2.246 . . . . 0.0 112.56 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.27 -66.62 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.426 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.474 HH21 ' HB2' ' A' ' 56' ' ' TRP . 10.8 ptm180 -145.15 144.15 30.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.292 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 50.8 m0 -122.23 154.36 37.62 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.313 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 37.7 tp -92.07 102.1 14.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.133 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.518 HG13 ' HA ' ' A' ' 31' ' ' VAL . 33.2 m -107.43 151.51 9.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.488 -179.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.418 ' HE ' ' HG2' ' A' ' 54' ' ' GLN . 39.0 ttm180 -129.0 114.64 16.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.494 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.4 p -54.86 127.73 29.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.879 0.371 . . . . 0.0 111.233 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.677 ' HZ3' ' HB2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -74.55 122.06 86.65 Favored Pre-proline 0 CA--C 1.532 0.282 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.997 -179.801 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo . . . . . 0 C--N 1.349 0.586 0 C-N-CA 122.484 2.122 . . . . 0.0 112.448 179.932 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo . . . . . 0 C--O 1.232 0.223 0 CA-C-O 120.825 0.261 . . . . 0.0 112.186 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.3 p -84.27 117.96 23.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.096 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -126.34 151.06 48.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.555 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.418 ' HG2' ' HE ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -115.66 131.1 57.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.056 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -150.97 150.96 23.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.52 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.474 ' HB2' HH21 ' A' ' 39' ' ' ARG . 88.2 m95 -76.62 121.86 23.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.827 0.346 . . . . 0.0 110.904 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.435 HG12 HD12 ' A' ' 23' ' ' LEU . 30.9 m -131.27 171.81 17.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.206 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.0 p -95.78 118.22 66.04 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.829 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -73.23 -6.73 19.4 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.283 1.989 . . . . 0.0 112.312 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.88 -32.99 74.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.2 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -93.74 9.84 35.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.939 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.8 mp -113.56 148.04 36.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -111.21 133.61 53.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.725 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -60.06 130.79 48.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.935 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -136.85 107.14 6.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.736 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 88.4 mt . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.016 -179.845 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.482 ' HB2' ' HB2' ' A' ' 30' ' ' GLU . 59.2 m-85 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.601 0.239 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -98.15 107.13 19.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.797 0.332 . . . . 0.0 111.745 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.613 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 44.4 mt -85.24 117.67 30.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.371 179.581 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -95.35 126.02 40.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.633 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -85.16 133.62 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.024 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.5 t -85.03 123.98 39.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.955 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.4 p -129.39 14.64 6.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.057 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -130.77 13.24 5.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.28 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.7 t70 68.74 -70.59 0.13 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.349 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 56.5 t80 65.55 84.75 0.15 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.034 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.87 107.57 43.97 Favored Pre-proline 0 CA--C 1.532 0.255 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.628 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -59.32 138.03 82.08 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.351 2.034 . . . . 0.0 112.351 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.0 mt -98.71 96.53 7.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.477 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.48 -168.79 14.89 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.246 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.36 103.21 15.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.718 0.294 . . . . 0.0 111.017 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -99.81 149.05 23.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.856 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -75.8 146.09 40.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.1 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.1 p30 43.51 30.8 0.37 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.493 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -101.23 167.04 10.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 16.8 tt -143.9 142.53 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.951 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 73.4 p -88.64 143.46 26.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.176 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.432 HD12 HG12 ' A' ' 57' ' ' VAL . 97.0 mt -135.7 168.68 18.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -134.36 142.11 47.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.748 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -60.3 103.77 0.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.568 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.84 13.98 3.56 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.229 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -100.96 155.29 18.05 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.951 0.405 . . . . 0.0 111.144 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -123.24 138.39 54.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.276 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.4 p -154.81 123.7 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.613 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 10.3 pt-20 -75.54 153.66 37.3 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.715 178.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.476 ' HA ' HG13 ' A' ' 42' ' ' VAL . 7.1 p -92.9 134.8 29.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.275 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 68.4 mt -85.01 -67.84 0.77 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.678 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -112.21 156.97 21.47 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.069 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -153.46 117.52 4.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.086 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -157.34 -18.47 0.09 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.303 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 -117.55 113.13 38.65 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.087 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -53.67 -23.86 27.6 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.646 2.231 . . . . 0.0 112.416 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 tt -60.04 -69.44 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.723 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -144.31 127.15 16.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 12.6 m0 -94.99 153.05 17.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.2 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 59.4 tp -80.94 122.83 27.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.454 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.476 HG13 ' HA ' ' A' ' 31' ' ' VAL . 33.7 m -126.09 162.77 29.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 121.073 0.463 . . . . 0.0 111.898 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.0 ttt180 -142.41 111.7 6.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.528 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.5 p -58.42 148.04 29.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.301 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 58.3 mtpt -84.59 143.09 40.6 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.745 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 45' ' ' LYS . 58.8 Cg_endo . . . . . 0 N--CA 1.454 -0.796 0 C-N-CA 122.803 2.335 . . . . 0.0 112.67 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo . . . . . 0 C--O 1.231 0.149 0 CA-C-O 120.854 0.272 . . . . 0.0 112.228 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.8 m -79.19 149.12 32.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 30.8 tpt180 -128.0 139.65 52.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.73 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -112.16 127.1 55.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.156 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -152.32 163.13 30.15 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.254 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 80.1 m95 -89.79 128.19 36.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.707 0.289 . . . . 0.0 110.588 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.432 HG12 HD12 ' A' ' 23' ' ' LEU . 35.3 m -121.72 163.57 19.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.425 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 59.8 m -94.78 117.19 66.94 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.833 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.417 ' HA ' ' HB2' ' A' ' 62' ' ' LEU . 40.2 Cg_endo -67.5 -10.24 28.05 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.458 2.105 . . . . 0.0 112.457 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.33 -32.57 74.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.152 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -105.05 3.68 30.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.823 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.417 ' HB2' ' HA ' ' A' ' 59' ' ' PRO . 8.4 mp -109.51 147.39 33.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.04 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -122.64 122.38 38.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.92 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -63.69 141.81 58.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.726 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -139.42 128.4 23.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.926 0.393 . . . . 0.0 111.453 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 C--N 1.331 -0.207 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.59 179.411 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.772 0.32 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -122.24 109.67 14.76 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.307 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.613 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 36.9 mt -84.77 115.45 26.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.917 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -94.69 142.67 27.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.771 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.5 p -101.93 135.03 40.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 38.5 t -94.01 116.73 35.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.5 p -120.83 10.0 10.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.997 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -116.11 21.64 13.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.169 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.446 ' HA ' ' HB2' ' A' ' 25' ' ' GLU . 9.6 m-20 64.01 -80.13 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.203 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 42.3 t80 61.76 83.6 0.15 Allowed 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.235 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 mp -117.53 108.66 42.92 Favored Pre-proline 0 C--N 1.332 -0.189 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.092 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -58.6 131.35 41.91 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.184 1.922 . . . . 0.0 112.084 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.7 mt -90.86 96.21 10.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.907 0.384 . . . . 0.0 110.772 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.11 -164.49 13.16 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.302 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -103.17 100.15 10.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.813 0.339 . . . . 0.0 110.961 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -100.66 138.67 37.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -72.9 143.05 47.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 57.85 22.98 9.19 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.182 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -119.32 137.45 53.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.178 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.0 tt -114.6 138.56 44.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.6 p -74.1 137.97 43.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.741 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.404 HD13 HG12 ' A' ' 57' ' ' VAL . 84.5 mt -132.77 145.81 51.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.168 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -120.41 143.98 48.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.596 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.446 ' HB2' ' HA ' ' A' ' 10' ' ' ASP . 0.7 OUTLIER -55.21 101.28 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.592 179.875 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.97 17.36 2.78 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.578 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -101.28 134.9 43.64 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 120.84 0.352 . . . . 0.0 111.161 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -104.22 139.43 39.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.517 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.438 HG23 ' HB ' ' A' ' 42' ' ' VAL . 2.8 p -159.39 123.98 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.613 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 10.0 pt-20 -74.75 153.53 38.77 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.143 179.059 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.552 ' HA ' HG13 ' A' ' 42' ' ' VAL . 11.9 p -95.4 140.68 16.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.18 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 67.4 mt -96.39 -69.29 0.76 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.653 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -125.24 166.53 16.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.751 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -113.83 -56.65 2.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 59.58 -87.03 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.288 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -104.0 126.48 31.64 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.667 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.5 ' HA ' ' HE1' ' A' ' 40' ' ' TRP . 71.2 Cg_exo -53.5 -23.86 26.42 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.633 2.222 . . . . 0.0 112.715 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.5 tt -57.36 -55.04 39.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -137.06 138.69 40.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.941 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.5 ' HE1' ' HA ' ' A' ' 37' ' ' PRO . 54.8 m0 -109.98 153.04 25.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 49.8 tp -85.98 130.23 34.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.481 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.552 HG13 ' HA ' ' A' ' 31' ' ' VAL . 34.4 m -145.05 139.42 22.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.754 0.311 . . . . 0.0 111.653 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.478 ' HB3' ' HB3' ' A' ' 54' ' ' GLN . 14.0 ptm180 -124.03 115.64 21.53 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.307 179.122 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.9 p -65.22 154.87 36.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.232 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -84.6 139.81 38.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.676 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo . . . . . 0 C--N 1.347 0.467 0 C-N-CA 122.267 1.978 . . . . 0.0 112.233 -179.93 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo . . . . . 0 C--O 1.232 0.197 0 CA-C-O 120.794 0.248 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.6 t -67.12 124.93 24.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.152 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.9 mtm180 -118.21 125.02 49.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.638 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.478 ' HB3' ' HB3' ' A' ' 43' ' ' ARG . 8.0 pt20 -99.84 134.77 42.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.0 0.429 . . . . 0.0 111.365 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -151.25 138.43 6.57 Favored Glycine 0 N--CA 1.451 -0.321 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.19 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 60.9 m95 -74.51 125.06 27.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.73 0.3 . . . . 0.0 110.728 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.404 HG12 HD13 ' A' ' 23' ' ' LEU . 34.9 m -132.85 172.08 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.217 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 56.6 m -85.47 113.38 50.5 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.929 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -71.02 -2.82 11.67 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.466 2.111 . . . . 0.0 112.534 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.41 -11.36 59.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.177 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -117.3 3.8 12.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.698 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.5 mp -114.39 136.18 53.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.385 -179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -117.84 131.87 56.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.317 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -55.59 149.83 13.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.962 0.41 . . . . 0.0 111.032 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 27.0 ttt180 -143.63 127.07 16.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.847 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.2 tp . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.968 -179.858 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.45 ' HB3' ' HB2' ' A' ' 30' ' ' GLU . 52.2 m-85 . . . . . 0 CA--C 1.528 0.119 0 CA-C-O 120.635 0.255 . . . . 0.0 110.638 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -122.14 111.29 16.8 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.218 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.621 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 46.5 mt -84.54 122.68 38.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.539 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -95.91 155.11 16.89 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.624 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.1 p -121.28 138.73 50.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.109 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.7 t -88.8 119.1 35.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.8 p -127.28 17.51 7.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.117 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -132.73 2.97 3.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.394 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.1 t70 60.31 101.95 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.2 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -102.95 93.3 4.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.789 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 76.6 mt -112.99 105.28 55.81 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.685 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.415 ' HG2' HG23 ' A' ' 22' ' ' THR . 36.2 Cg_exo -58.73 128.98 30.1 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.47 2.113 . . . . 0.0 112.485 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 86.1 mt -91.6 96.24 10.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.59 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.85 -137.64 14.03 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.525 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -126.66 109.18 11.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.757 0.313 . . . . 0.0 111.085 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -106.22 124.44 49.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -63.0 149.45 44.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.264 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.2 p30 43.87 31.86 0.54 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.695 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -115.89 148.51 39.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.866 0.365 . . . . 0.0 111.042 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 14.2 tt -117.12 140.94 37.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.944 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.415 HG23 ' HG2' ' A' ' 13' ' ' PRO . 70.8 p -80.99 147.39 30.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.183 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.472 HD12 HG12 ' A' ' 57' ' ' VAL . 90.1 mt -139.1 166.56 24.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.174 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -135.86 143.04 44.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.577 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -60.17 106.97 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.69 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 120.49 17.91 4.22 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.422 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -101.21 166.02 10.99 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 120.88 0.371 . . . . 0.0 111.123 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.433 ' HB3' HG23 ' A' ' 4' ' ' ILE . 32.7 m-85 -133.01 135.45 45.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.768 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.413 ' N ' HG22 ' A' ' 4' ' ' ILE . 2.4 p -159.63 123.79 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.525 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.621 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 0.6 OUTLIER -76.84 153.39 34.86 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.137 179.277 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.559 ' HA ' HG11 ' A' ' 42' ' ' VAL . 12.7 p -87.68 143.22 11.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.176 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.487 HD12 ' HB2' ' A' ' 43' ' ' ARG . 97.1 mt -94.11 -73.0 0.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.852 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -94.51 -173.63 3.1 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -144.31 11.76 1.53 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.226 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.25 147.04 50.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.297 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 71.3 m80 59.68 98.31 0.04 OUTLIER Pre-proline 0 CA--C 1.53 0.197 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.403 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -52.79 -25.19 26.13 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 122.561 2.174 . . . . 0.0 112.37 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 61.2 tp -60.26 -66.12 0.57 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.967 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -125.6 135.78 52.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 18.5 m0 -112.42 152.27 28.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.791 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.9 tp -79.77 136.84 36.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.586 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.559 HG11 ' HA ' ' A' ' 31' ' ' VAL . 27.0 m -142.98 150.22 18.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.917 0.389 . . . . 0.0 111.545 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.487 ' HB2' HD12 ' A' ' 32' ' ' LEU . 40.5 ttm180 -136.88 111.9 8.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.436 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.9 p -57.74 155.89 9.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.515 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -85.71 133.98 40.64 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.844 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo . . . . . 0 C--N 1.347 0.467 0 C-N-CA 122.47 2.113 . . . . 0.0 112.451 179.965 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo . . . . . 0 C--O 1.231 0.142 0 CA-C-O 120.861 0.275 . . . . 0.0 112.399 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.7 p -91.66 126.68 36.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.073 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -102.74 160.41 14.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -132.69 127.04 33.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.715 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -152.28 163.52 30.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.514 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 77.2 m95 -92.81 129.44 38.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.738 0.304 . . . . 0.0 110.602 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.472 HG12 HD12 ' A' ' 23' ' ' LEU . 35.8 m -130.45 162.65 37.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.819 0.343 . . . . 0.0 111.461 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 52.6 m -90.33 114.75 62.18 Favored Pre-proline 0 CA--C 1.531 0.227 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.739 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -71.71 -0.45 8.36 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.328 2.019 . . . . 0.0 112.458 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.06 -4.45 28.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.182 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -130.21 9.24 5.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.994 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 62' ' ' LEU . 4.2 mm? -109.62 156.28 20.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.383 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -126.21 110.55 13.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.159 179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 20.3 ptp180 -56.61 149.23 17.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.011 0.434 . . . . 0.0 111.402 -179.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.524 ' HE ' ' H ' ' A' ' 66' ' ' LEU . 6.0 tpm_? -141.18 138.37 33.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.51 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.524 ' H ' ' HE ' ' A' ' 65' ' ' ARG . 5.2 mp . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.798 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.446 ' HB3' ' HB2' ' A' ' 30' ' ' GLU . 92.7 m-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.645 0.259 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -122.18 105.26 10.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.873 0.368 . . . . 0.0 111.54 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.615 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 47.6 mt -84.97 114.73 25.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.025 179.57 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -94.67 141.53 28.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.72 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.1 p -102.1 132.99 46.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.027 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.8 t -85.89 112.77 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.949 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.5 p -118.74 20.88 12.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.27 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -137.33 9.94 2.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.306 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.1 t70 62.75 162.27 0.09 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.797 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -161.73 93.38 0.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 63.4 tp -117.22 107.74 44.94 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.03 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -57.78 144.09 94.12 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.458 2.105 . . . . 0.0 112.549 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.2 mt -88.43 95.77 10.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.542 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.78 -134.45 18.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.367 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.46 112.71 24.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.775 0.321 . . . . 0.0 110.805 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -120.23 129.37 54.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.766 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.401 ' OE1' ' N ' ' A' ' 18' ' ' GLN . 14.1 mp0 -86.96 149.62 24.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.067 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 60.99 23.6 13.75 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.043 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -123.5 158.88 30.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.024 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.9 tt -135.9 133.52 50.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.8 t -58.63 137.23 57.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.43 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.4 mt -147.26 168.3 22.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.847 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -139.83 159.48 42.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.918 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -72.05 101.83 2.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.61 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 127.76 15.07 2.44 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.437 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -101.2 155.68 17.87 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 120.828 0.347 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -118.94 138.29 52.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.769 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.476 HG23 ' HB ' ' A' ' 42' ' ' VAL . 2.8 p -158.48 123.93 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-O 120.975 0.417 . . . . 0.0 112.033 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.615 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 11.4 pt-20 -75.16 153.46 38.19 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.821 178.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.499 ' HA ' HG11 ' A' ' 42' ' ' VAL . 13.2 p -95.17 136.27 26.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.286 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.1 mt -93.83 -52.05 4.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.881 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -139.31 173.79 11.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.05 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -124.73 -69.24 0.81 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 60.65 -85.37 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.665 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -90.89 118.04 68.34 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.984 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.501 ' HA ' ' HE1' ' A' ' 40' ' ' TRP . 74.4 Cg_exo -54.37 -26.2 42.92 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.699 2.266 . . . . 0.0 112.499 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 98.1 mt -61.87 -44.89 95.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.015 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -145.04 131.64 19.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.172 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.501 ' HE1' ' HA ' ' A' ' 37' ' ' PRO . 52.7 m0 -106.6 145.95 31.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.7 tp -80.29 131.98 35.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.924 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.499 HG11 ' HA ' ' A' ' 31' ' ' VAL . 31.5 m -135.76 160.98 39.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.59 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -137.03 111.94 8.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.48 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.9 p -62.71 158.21 19.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.327 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -86.64 127.95 58.5 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.869 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo . . . . . 0 C--N 1.349 0.58 0 C-N-CA 122.457 2.105 . . . . 0.0 112.593 -179.938 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo . . . . . 0 C--O 1.232 0.201 0 CA-C-O 120.733 0.222 . . . . 0.0 112.083 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.3 t -72.41 123.05 22.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.044 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -109.41 145.12 36.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.552 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -122.76 127.28 48.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -151.92 162.69 29.83 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.661 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 79.0 m95 -89.91 138.51 31.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.684 0.278 . . . . 0.0 110.535 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.4 m -134.57 171.96 16.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.346 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 59.9 p -94.09 111.15 52.07 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.692 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.47 -3.4 12.4 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.301 2.001 . . . . 0.0 112.483 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.6 -3.4 30.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.119 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -132.83 13.54 4.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.7 mp -110.74 143.63 40.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.466 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -116.02 127.25 54.76 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.507 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -73.63 130.86 40.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.985 0.422 . . . . 0.0 111.396 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.6 mtp180 -142.27 141.46 32.47 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.487 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 85.6 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.073 -179.832 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 . . . . . 0 N--CA 1.461 0.123 0 CA-C-O 120.932 0.396 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.471 ' O ' ' HA ' ' A' ' 30' ' ' GLU . 12.5 t0 -95.86 103.62 15.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.605 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.569 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 42.8 mt -83.85 138.24 19.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.986 0.422 . . . . 0.0 111.436 -179.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -120.88 160.08 24.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.533 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.7 p -122.95 130.42 74.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.099 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 49.0 t -82.47 121.41 35.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.703 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.402 ' HA ' ' HG2' ' A' ' 25' ' ' GLU . 79.0 p -127.84 29.71 5.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.246 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -144.12 10.11 1.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.31 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 55.88 93.69 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.066 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -91.28 82.43 5.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.867 0.365 . . . . 0.0 110.847 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -115.92 108.98 45.61 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.1 133.94 56.37 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.33 2.02 . . . . 0.0 112.212 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 78.3 mt -102.46 96.75 7.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.667 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 114.21 -164.72 12.04 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.275 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.43 97.7 10.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.797 0.332 . . . . 0.0 111.082 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -109.53 153.03 24.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 -104.59 148.51 26.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.596 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 59.83 18.6 7.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -107.49 125.79 51.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.157 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 14.7 tt -102.71 139.3 24.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.1 p -80.17 125.06 29.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.534 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.7 mt -127.57 142.58 51.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.951 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -106.4 133.62 50.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.773 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.402 ' HG2' ' HA ' ' A' ' 8' ' ' THR . 2.1 tm-20 -51.74 115.09 1.48 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.716 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 117.12 13.36 7.73 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.291 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -101.25 152.73 20.32 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 120.806 0.336 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -117.01 137.7 52.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.482 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.428 ' HB ' HG23 ' A' ' 44' ' ' THR . 2.2 p -159.0 124.48 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -179.516 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.569 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 0.2 OUTLIER -80.41 153.14 28.46 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.392 178.633 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.528 ' HA ' HG11 ' A' ' 42' ' ' VAL . 11.9 p -87.5 137.04 21.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.896 0.379 . . . . 0.0 111.483 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.4 mt -87.98 -77.22 0.36 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.883 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -102.56 129.7 49.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -101.45 105.41 16.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -145.48 125.89 14.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 33.7 m80 63.78 109.69 0.03 OUTLIER Pre-proline 0 CA--C 1.532 0.262 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.983 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -51.54 -23.88 15.7 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.723 2.282 . . . . 0.0 112.699 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.8 mt -56.01 -55.52 31.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.174 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.551 HH21 ' HB2' ' A' ' 56' ' ' TRP . 11.5 ptm180 -146.07 131.34 18.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.083 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 21.9 m0 -111.85 155.38 23.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.035 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 54.0 tp -85.8 120.14 26.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.671 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.528 HG11 ' HA ' ' A' ' 31' ' ' VAL . 22.2 m -128.66 158.58 40.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.888 0.375 . . . . 0.0 111.601 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -139.52 111.79 7.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.441 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.428 HG23 ' HB ' ' A' ' 29' ' ' VAL . 24.7 p -68.62 152.31 45.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.967 0.413 . . . . 0.0 111.6 -179.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -73.59 120.56 81.79 Favored Pre-proline 0 CA--C 1.531 0.232 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.758 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo . . . . . 0 C--N 1.349 0.599 0 C-N-CA 122.367 2.045 . . . . 0.0 112.426 -179.875 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo . . . . . 0 C--O 1.232 0.208 0 CA-C-O 120.797 0.249 . . . . 0.0 112.26 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.1 t -66.78 150.41 49.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.164 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -130.24 116.14 17.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.889 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -104.25 127.7 51.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.796 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -151.34 163.09 29.77 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.621 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.551 ' HB2' HH21 ' A' ' 39' ' ' ARG . 47.0 m95 -86.94 125.93 34.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.738 0.304 . . . . 0.0 110.438 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 33.1 m -122.87 167.68 16.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.407 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 57.0 m -97.83 118.46 63.94 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.826 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -68.88 -4.24 13.0 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.365 2.043 . . . . 0.0 112.638 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.53 -8.42 51.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.247 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -126.72 8.92 6.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.688 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.2 mp -106.68 142.93 35.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.225 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -114.64 149.11 37.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.847 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -80.73 123.01 27.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.503 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -143.43 130.1 20.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.947 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.47 ' N ' HD22 ' A' ' 66' ' ' LEU . 1.4 pt? . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 121.03 0.443 . . . . 0.0 110.878 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.473 ' HB3' ' HB2' ' A' ' 30' ' ' GLU . 66.8 m-85 . . . . . 0 N--CA 1.463 0.185 0 CA-C-O 120.845 0.355 . . . . 0.0 110.953 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -122.39 100.69 7.07 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.333 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.627 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 65.7 mt -84.38 111.67 20.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.999 179.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -94.82 127.88 41.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.8 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.0 p -85.75 132.24 32.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.108 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 47.3 t -83.72 119.56 33.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.667 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.8 t -135.05 23.38 3.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.371 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -130.52 2.35 4.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.069 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.6 t70 61.81 109.32 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.987 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -118.59 91.4 3.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.936 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.8 tp -117.31 118.15 35.91 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -59.03 150.22 74.43 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.379 2.053 . . . . 0.0 112.447 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.438 HD13 ' N ' ' A' ' 14' ' ' LEU . 4.9 mp -104.79 96.41 6.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.773 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.73 -137.95 13.64 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.546 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -118.89 106.58 12.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.871 0.367 . . . . 0.0 111.027 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -116.61 147.75 41.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.951 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -87.82 148.6 24.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 58.87 23.39 11.3 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.069 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -112.55 130.11 56.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.225 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 16.3 tt -103.59 143.82 15.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.2 p -86.79 118.74 26.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.106 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.0 mt -118.43 159.57 23.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.978 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.5 mmm180 -125.57 145.36 50.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.74 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -62.49 98.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.833 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 129.01 14.79 2.19 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.379 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -101.12 152.76 20.23 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 120.928 0.394 . . . . 0.0 111.209 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -112.11 136.28 51.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.286 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.419 ' N ' HG22 ' A' ' 4' ' ' ILE . 3.6 p -158.99 124.53 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.851 0.358 . . . . 0.0 111.891 -179.65 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.627 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 0.4 OUTLIER -76.52 153.75 35.19 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.057 179.007 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.46 ' HA ' HG11 ' A' ' 42' ' ' VAL . 13.1 p -95.4 142.06 14.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.139 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 90.8 mt -102.94 -68.61 0.83 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.777 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.45 ' HB3' ' HB3' ' A' ' 41' ' ' LEU . 29.6 t70 -97.23 146.06 25.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.784 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -123.49 7.95 8.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.368 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.48 138.22 58.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.031 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 60.92 101.3 0.04 OUTLIER Pre-proline 0 CA--C 1.531 0.245 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.018 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.431 ' HA ' ' HE1' ' A' ' 40' ' ' TRP . 74.4 Cg_exo -52.34 -22.35 15.67 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.8 2.333 . . . . 0.0 112.773 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -49.67 -57.05 7.96 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.066 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -147.59 140.25 24.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.739 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.431 ' HE1' ' HA ' ' A' ' 37' ' ' PRO . 54.0 m0 -115.36 151.04 35.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.143 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.493 HD13 ' HB3' ' A' ' 54' ' ' GLN . 54.6 tp -84.66 138.72 32.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.458 179.398 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.46 HG11 ' HA ' ' A' ' 31' ' ' VAL . 32.4 m -139.76 155.79 25.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.964 0.412 . . . . 0.0 111.446 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -132.74 111.9 11.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.238 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.1 p -67.68 143.99 55.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.902 0.382 . . . . 0.0 111.146 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -63.82 119.63 56.36 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.718 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--N 1.35 0.605 0 C-N-CA 122.294 1.996 . . . . 0.0 112.422 -179.925 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo . . . . . 0 C--O 1.231 0.144 0 CA-C-O 120.8 0.25 . . . . 0.0 112.227 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 77.0 p -67.71 112.62 4.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.6 tpt180 -111.11 155.56 22.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.784 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.493 ' HB3' HD13 ' A' ' 41' ' ' LEU . 23.2 mt-30 -136.25 130.89 33.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.777 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -151.17 163.04 29.7 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.75 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -90.7 140.71 29.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.749 0.309 . . . . 0.0 110.741 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.0 m -138.82 170.89 15.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.384 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.6 m -99.59 113.94 65.28 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.568 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -67.59 -5.68 14.79 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.334 2.023 . . . . 0.0 112.47 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.16 -17.44 63.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.119 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -118.54 12.82 13.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.9 mp -103.1 135.94 43.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.187 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -108.61 118.78 37.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.721 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.636 ' H ' ' HD3' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -62.68 120.59 11.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.362 -179.697 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 23.4 ttt180 -143.42 140.89 30.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.725 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 33.4 tp . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.034 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.479 ' HB3' ' HB2' ' A' ' 30' ' ' GLU . 31.0 m-85 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.699 0.285 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -121.75 111.97 17.81 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.825 0.345 . . . . 0.0 111.115 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.62 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 40.3 mt -84.26 136.65 22.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.294 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -112.89 145.44 40.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.626 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.9 p -107.31 128.93 61.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.989 0.423 . . . . 0.0 110.92 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 40.0 t -78.31 107.39 10.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.805 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 79.5 p -113.85 16.69 18.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.288 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -137.74 10.6 2.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.364 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.3 t70 63.65 158.88 0.08 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.149 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -157.91 88.5 0.97 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.824 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.424 HD11 ' HD2' ' A' ' 13' ' ' PRO . 47.8 tp -106.71 123.45 38.58 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.424 ' HD2' HD11 ' A' ' 12' ' ' LEU . 40.5 Cg_exo -58.79 148.16 84.78 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 122.368 2.045 . . . . 0.0 112.409 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.8 mt -99.06 95.94 7.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.603 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.91 -95.41 0.72 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.625 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -117.54 112.85 21.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.868 0.366 . . . . 0.0 111.161 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.404 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -82.62 134.61 35.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.113 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -109.56 117.09 33.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 58.96 18.25 6.07 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.983 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.404 ' HB2' ' HB2' ' A' ' 17' ' ' GLU . . . -114.3 165.64 12.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.017 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.6 tt -125.67 135.79 62.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.075 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.7 t -68.62 145.33 54.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.978 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.4 mt -146.28 169.26 19.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.106 0.479 . . . . 0.0 111.355 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.2 mtt180 -133.95 149.95 51.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.335 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -62.75 93.77 0.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.971 0.415 . . . . 0.0 110.625 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 136.21 17.61 0.78 Allowed Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.168 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -101.06 144.59 29.79 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 120.852 0.358 . . . . 0.0 110.808 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.426 ' HB3' HG23 ' A' ' 4' ' ' ILE . 13.3 m-85 -108.75 135.88 49.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.742 -179.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.55 HG23 ' HB ' ' A' ' 42' ' ' VAL . 2.8 p -157.59 123.54 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-O 120.98 0.419 . . . . 0.0 111.924 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.62 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 8.9 pt-20 -77.68 153.92 32.62 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.739 179.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.581 ' HA ' HG11 ' A' ' 42' ' ' VAL . 13.9 p -88.27 144.7 8.63 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.056 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 90.3 mt -112.76 -71.24 0.76 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.483 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -57.27 -75.14 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.64 -179.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.94 91.16 0.07 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.038 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -140.4 -70.63 0.38 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.287 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.479 ' ND1' ' HG ' ' A' ' 38' ' ' LEU . 2.2 t-80 -107.88 134.06 20.23 Favored Pre-proline 0 CA--C 1.531 0.23 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.813 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.416 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 88.8 Cg_exo -51.15 -21.16 8.79 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.769 2.313 . . . . 0.0 112.64 -179.639 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.479 ' HG ' ' ND1' ' A' ' 36' ' ' HIS . 60.6 mt -51.58 -69.43 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.353 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -147.71 132.9 18.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.176 -179.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 26.6 m0 -115.42 150.74 35.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.273 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 34.6 tp -87.23 117.64 26.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.037 179.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.581 HG11 ' HA ' ' A' ' 31' ' ' VAL . 18.0 m -126.17 150.36 31.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.839 0.352 . . . . 0.0 111.805 -179.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.417 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 15.6 ttm180 -124.75 113.7 18.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.621 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.9 p -62.49 142.09 58.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.849 0.357 . . . . 0.0 111.194 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -72.68 130.56 85.36 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.139 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo . . . . . 0 C--N 1.349 0.581 0 C-N-CA 122.427 2.085 . . . . 0.0 112.09 179.687 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo . . . . . 0 C--O 1.231 0.147 0 CA-C-O 120.805 0.252 . . . . 0.0 112.103 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.7 p -75.91 127.23 32.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.962 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 -121.18 132.35 54.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.698 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.417 ' HB3' ' HB2' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -116.88 134.4 54.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.473 -179.727 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -150.11 154.9 25.95 Favored Glycine 0 N--CA 1.451 -0.331 0 CA-C-N 115.848 -0.614 . . . . 0.0 112.317 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 65.1 m95 -75.56 123.0 24.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.729 0.3 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 28.4 m -122.76 164.53 19.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.171 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.1 p -88.5 110.62 38.09 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.43 -7.77 21.84 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.498 2.132 . . . . 0.0 112.839 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.82 -14.1 62.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.097 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -116.38 11.75 15.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.716 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.0 mp -110.67 149.96 29.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.197 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -117.1 144.39 44.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.435 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.555 ' H ' ' HD3' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -64.0 132.55 50.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.908 0.385 . . . . 0.0 111.071 -179.803 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -143.3 105.88 4.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.816 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.44 ' N ' HD13 ' A' ' 66' ' ' LEU . 6.7 mp . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.94 0.4 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.429 ' O ' ' HA ' ' A' ' 30' ' ' GLU . 10.7 m-20 -90.28 100.92 13.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.249 -179.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.531 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 46.4 mt -85.01 114.73 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.391 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -100.39 130.43 46.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.753 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.1 p -86.04 139.06 17.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.026 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 43.9 t -93.14 113.66 28.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.975 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 67.2 p -116.21 12.05 15.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.009 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -121.83 2.76 10.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.975 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.8 t70 72.18 -63.88 0.41 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.434 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 47.8 t80 63.74 78.11 0.3 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.98 0.419 . . . . 0.0 110.606 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 55.9 tp -106.84 108.11 61.44 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.029 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo -62.56 150.0 89.12 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.373 2.049 . . . . 0.0 112.157 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.8 mt -112.89 96.42 5.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.557 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.83 -159.93 18.08 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.275 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.15 99.44 11.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.813 0.34 . . . . 0.0 110.959 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -94.87 149.3 21.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.024 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -92.43 139.68 30.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.185 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 56.95 26.77 12.2 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.088 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -117.64 161.29 19.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.127 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 16.3 tt -141.59 142.91 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.0 t -75.17 141.92 43.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.905 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.9 mt -140.1 151.94 45.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.929 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -115.43 139.94 49.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.846 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -58.91 105.66 0.34 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.955 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 120.53 17.53 4.3 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.657 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -101.31 142.99 31.92 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 120.873 0.368 . . . . 0.0 111.09 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.449 ' HB3' HG23 ' A' ' 4' ' ' ILE . 30.4 m-85 -101.56 136.55 41.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.739 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.5 p -158.16 122.9 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.531 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 0.6 OUTLIER -84.11 153.26 23.84 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.5 178.676 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.505 HG22 ' HB2' ' A' ' 34' ' ' ALA . 12.3 p -90.75 144.71 8.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.335 -179.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.402 HD12 ' HB2' ' A' ' 43' ' ' ARG . 70.9 mt -92.17 -79.35 0.39 Allowed 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.89 -179.526 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -80.64 -75.53 0.27 Allowed 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.237 -178.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.505 ' HB2' HG22 ' A' ' 31' ' ' VAL . . . 68.27 111.01 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.935 -179.146 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -159.37 -64.58 0.08 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.195 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -61.59 118.29 36.18 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -53.4 -27.33 39.12 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.625 2.216 . . . . 0.0 112.659 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.422 HD13 ' H ' ' A' ' 38' ' ' LEU . 6.3 mp -65.24 -57.15 9.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.085 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.6 ptt180 -144.11 146.71 32.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.083 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 46.1 m0 -112.55 151.54 29.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.023 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 62.2 tp -82.43 98.95 9.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.797 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 29.8 m -104.18 154.23 6.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.92 0.391 . . . . 0.0 111.066 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.402 ' HB2' HD12 ' A' ' 32' ' ' LEU . 62.2 ttt180 -142.15 111.77 6.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.822 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 58.7 p -62.74 124.83 22.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.027 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.0 pttt -67.2 130.74 93.6 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.704 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo . . . . . 0 C--N 1.349 0.556 0 C-N-CA 122.246 1.964 . . . . 0.0 112.465 -179.774 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_endo . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.791 0.246 . . . . 0.0 112.296 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.9 p -68.2 155.09 40.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.047 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 65.5 mtm180 -129.58 121.61 27.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.81 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -107.88 127.54 53.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.0 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -152.03 150.79 22.72 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.376 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 44.4 m95 -82.58 128.65 34.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.685 0.279 . . . . 0.0 110.557 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.8 m -131.39 171.63 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 111.318 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.3 m -87.76 115.35 62.71 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.5 -3.07 12.31 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.312 2.008 . . . . 0.0 112.341 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.31 -13.07 62.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.18 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -118.97 15.01 13.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.975 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.3 mp -104.08 157.79 16.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -128.84 123.04 31.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.798 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 50.3 ttp180 -63.98 118.11 7.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.975 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -141.56 125.5 17.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.545 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 59.0 mt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 -179.664 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.642 0.258 . . . . 0.0 110.796 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -122.45 111.86 17.35 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.91 0.386 . . . . 0.0 111.836 -179.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.582 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 35.0 mt -85.51 113.4 23.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.707 178.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -94.41 142.86 26.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.645 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.4 p -99.72 140.86 18.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 45.4 t -88.94 109.36 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.984 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 58.9 p -116.44 8.19 14.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.296 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -122.54 16.46 10.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.375 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.4 t70 66.8 -73.92 0.07 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.219 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.9 t80 63.72 87.33 0.11 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.059 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.421 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 45.5 tp -117.27 125.48 28.15 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.493 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 12' ' ' LEU . 23.8 Cg_exo -64.11 143.64 84.85 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.27 1.98 . . . . 0.0 112.513 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.6 mt -116.22 96.49 5.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.688 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.67 -137.21 14.08 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.481 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -119.18 98.05 5.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.833 0.349 . . . . 0.0 111.053 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -98.27 140.85 31.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.047 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -99.76 147.23 25.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.046 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 58.24 18.4 5.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.198 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -109.17 152.46 25.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.119 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.5 tt -124.2 133.67 68.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.067 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.9 t -63.38 148.84 47.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.183 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.579 HD12 HG12 ' A' ' 57' ' ' VAL . 86.6 mt -141.68 159.97 41.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.979 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -134.8 140.33 45.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.636 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -54.27 104.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.54 17.78 3.13 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.598 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.458 ' NE2' ' H ' ' A' ' 28' ' ' TYR . 1.0 OUTLIER -101.59 155.2 18.23 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 120.81 0.338 . . . . 0.0 111.171 -179.859 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.458 ' H ' ' NE2' ' A' ' 27' ' ' GLN . 9.3 m-85 -122.38 140.71 52.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.204 179.647 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.417 HG23 ' HB ' ' A' ' 42' ' ' VAL . 2.4 p -157.98 123.09 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.739 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.582 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 13.2 pt-20 -74.42 153.5 39.19 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.76 178.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.598 ' HA ' HG11 ' A' ' 42' ' ' VAL . 12.4 p -95.72 142.92 12.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.402 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.7 mt -100.26 -76.65 0.55 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.732 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -119.15 163.99 16.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.881 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.48 -84.22 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.064 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 58.14 103.24 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.522 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 31.5 m170 64.36 114.66 0.02 OUTLIER Pre-proline 0 CA--C 1.531 0.216 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.326 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -55.46 -23.79 40.69 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.724 2.283 . . . . 0.0 112.646 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.7 mp -56.88 -56.88 15.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.997 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -137.95 139.88 39.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 44.7 m0 -110.38 152.9 25.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.012 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 59.5 tp -79.41 130.45 35.43 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.899 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.598 HG11 ' HA ' ' A' ' 31' ' ' VAL . 30.5 m -142.76 144.81 23.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.4 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' A' ' 43' ' ' ARG . 15.5 ptm180 -122.05 123.95 42.8 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.557 179.306 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.3 p -66.45 131.52 46.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.346 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.641 ' HB3' ' HZ2' ' A' ' 45' ' ' LYS . 7.9 mtpm? -65.43 114.44 15.62 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.577 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.428 ' HG3' ' HB3' ' A' ' 52' ' ' SER . 74.3 Cg_endo . . . . . 0 C--N 1.349 0.554 0 C-N-CA 122.337 2.025 . . . . 0.0 112.655 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo . . . . . 0 C--O 1.232 0.199 0 CA-C-O 120.766 0.236 . . . . 0.0 112.177 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.428 ' HB3' ' HG3' ' A' ' 46' ' ' PRO . 83.3 p -83.26 122.87 28.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.143 -179.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -125.76 132.35 52.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.648 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -119.62 132.55 55.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -148.19 159.18 27.95 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.51 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 54.3 m95 -82.45 128.65 34.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.833 0.349 . . . . 0.0 110.76 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.579 HG12 HD12 ' A' ' 23' ' ' LEU . 24.6 m -128.87 170.44 18.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.254 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.3 m -84.56 110.5 27.66 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.713 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -70.54 -6.76 19.73 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.35 2.033 . . . . 0.0 112.499 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.7 -18.06 62.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.193 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -111.78 10.42 20.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.2 mp -103.4 145.51 29.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.047 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -117.63 118.72 32.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.78 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 -63.48 115.17 4.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -136.0 129.11 31.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.954 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.419 ' H ' HD12 ' A' ' 66' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.804 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.481 ' HB3' ' HB2' ' A' ' 30' ' ' GLU . 15.9 m-85 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.715 0.293 . . . . 0.0 110.565 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -113.75 114.29 26.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.186 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.598 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 25.1 mt -84.66 120.1 34.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.062 0.458 . . . . 0.0 111.545 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -97.27 156.06 16.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.35 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.3 p -110.33 132.45 58.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.9 0.381 . . . . 0.0 111.154 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.2 t -90.28 118.09 34.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.896 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.6 p -125.83 24.0 7.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.231 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -129.55 17.36 5.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.104 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 64.94 -78.47 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.264 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.3 t80 62.32 86.21 0.11 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.741 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 97.1 mt -117.68 118.45 35.03 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.078 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.86 136.6 71.1 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.487 2.125 . . . . 0.0 112.318 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.539 ' H ' HD22 ' A' ' 14' ' ' LEU . 0.8 OUTLIER -111.78 97.97 7.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.046 179.837 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 109.96 -119.0 5.27 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.61 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -126.36 109.06 11.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.792 0.33 . . . . 0.0 111.187 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.481 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -96.63 144.15 26.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.989 179.881 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -112.37 138.27 49.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.205 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 56.2 18.52 3.32 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.36 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.481 ' HB2' ' HB2' ' A' ' 17' ' ' GLU . . . -113.37 168.39 9.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.191 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.6 tt -135.43 130.98 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.017 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.2 t -61.37 148.41 41.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.6 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.472 HD12 HG12 ' A' ' 57' ' ' VAL . 96.2 mt -144.2 159.47 42.61 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.683 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 41.8 mtm180 -132.04 153.81 50.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.981 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -63.83 93.19 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.647 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 127.59 21.63 1.58 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.53 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -101.42 147.04 26.81 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 120.83 0.348 . . . . 0.0 110.999 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -113.81 139.77 48.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.51 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.468 HG23 ' HB ' ' A' ' 42' ' ' VAL . 2.9 p -158.73 123.88 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-O 120.999 0.428 . . . . 0.0 112.121 -179.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.598 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 11.3 pt-20 -76.54 153.59 35.3 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.239 179.279 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.599 ' HA ' HG13 ' A' ' 42' ' ' VAL . 14.2 p -91.03 144.85 8.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.63 -179.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.474 HD12 ' HD3' ' A' ' 43' ' ' ARG . 95.3 mt -105.05 -81.98 0.53 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.725 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -70.84 -79.43 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.003 -178.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.531 ' HB1' HG22 ' A' ' 31' ' ' VAL . . . 62.51 18.79 10.72 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.116 -179.46 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -79.43 -16.16 56.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.0 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 43.7 m80 -95.38 119.12 65.92 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.601 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -53.13 -25.19 28.39 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.643 2.229 . . . . 0.0 113.119 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.0 mt -80.22 -88.87 0.07 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.485 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.535 ' HG2' ' HB3' ' A' ' 56' ' ' TRP . 2.7 ttp180 -100.0 147.97 25.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.93 0.395 . . . . 0.0 111.166 -179.582 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 54.8 m0 -113.17 139.74 48.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.072 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.4 tp -83.35 136.91 34.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.15 179.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.599 HG13 ' HA ' ' A' ' 31' ' ' VAL . 27.0 m -142.52 159.37 19.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.91 0.386 . . . . 0.0 111.782 -179.565 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.474 ' HD3' HD12 ' A' ' 32' ' ' LEU . 34.3 ptt180 -137.09 123.72 21.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.107 179.059 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.1 p -72.35 149.35 44.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.887 0.375 . . . . 0.0 111.392 -179.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -76.64 124.72 87.82 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.96 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo . . . . . 0 C--N 1.349 0.575 0 C-N-CA 122.427 2.085 . . . . 0.0 112.617 -179.799 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo . . . . . 0 C--O 1.231 0.17 0 CA-C-O 120.754 0.231 . . . . 0.0 112.262 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 77.4 p -69.46 121.33 16.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.963 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -92.12 154.29 18.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.146 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.46 129.11 16.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.755 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -151.2 159.95 28.44 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.587 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.535 ' HB3' ' HG2' ' A' ' 39' ' ' ARG . 90.3 m95 -74.84 135.25 41.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.69 0.281 . . . . 0.0 110.71 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.472 HG12 HD12 ' A' ' 23' ' ' LEU . 34.6 m -135.4 162.39 37.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.378 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 58.5 p -83.44 113.47 46.91 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.69 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.13 -7.99 22.37 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.274 1.982 . . . . 0.0 112.521 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.99 -40.36 87.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.259 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -93.14 13.66 20.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.956 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.8 mp -106.86 143.36 35.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.164 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -124.72 119.43 28.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.534 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.431 ' N ' ' HD3' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -55.14 136.92 47.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.002 -179.809 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 -142.91 127.55 18.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.444 ' N ' HD13 ' A' ' 66' ' ' LEU . 4.9 mp . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.757 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.58 0.229 . . . . 0.0 110.805 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -122.12 106.61 11.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.857 0.36 . . . . 0.0 111.58 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.622 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 25.3 mt -84.36 115.11 25.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.371 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -94.52 140.35 29.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.372 179.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -101.58 135.91 35.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.128 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 47.5 t -86.75 111.17 21.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.2 p -119.47 17.05 12.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.346 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -127.29 -4.91 6.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.36 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.4 t70 60.82 97.73 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.013 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -98.23 90.26 4.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.837 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 tt -115.69 104.72 52.66 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.606 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -59.37 150.3 75.8 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.556 2.171 . . . . 0.0 112.437 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.414 HD13 ' N ' ' A' ' 14' ' ' LEU . 5.2 mp -119.82 97.39 5.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 120.08 -115.49 2.99 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.625 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -113.92 125.46 54.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.797 0.332 . . . . 0.0 111.023 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -82.32 136.15 35.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.052 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -111.77 98.9 7.72 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.598 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 56.62 22.3 6.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.047 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -111.31 172.08 7.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.219 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.5 tt -132.94 142.51 42.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 52.3 m -73.36 128.41 35.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.214 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.4 mt -129.77 121.9 27.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.761 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.429 ' N ' ' HD3' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -91.73 144.24 25.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.809 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -58.39 105.88 0.33 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.827 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 126.49 11.56 3.68 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.259 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -101.32 151.94 21.29 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 120.873 0.368 . . . . 0.0 110.992 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.519 ' HB2' ' HZ2' ' A' ' 45' ' ' LYS . 39.5 m-85 -116.56 140.25 49.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.422 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.481 HG23 ' HB ' ' A' ' 42' ' ' VAL . 2.2 p -159.36 122.65 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.894 0.378 . . . . 0.0 111.961 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.622 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 10.1 pt-20 -76.52 153.0 35.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.859 178.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.649 ' HA ' HG11 ' A' ' 42' ' ' VAL . 11.6 p -89.06 142.72 12.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.244 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.513 HD23 ' HD2' ' A' ' 43' ' ' ARG . 75.6 mt -98.57 -60.27 1.58 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.227 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -71.65 -75.17 0.13 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.396 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.34 91.05 0.06 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.014 -179.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -160.67 -64.05 0.06 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.213 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 57.5 m80 -92.67 113.4 59.46 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.006 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -48.86 -24.19 6.81 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 122.668 2.245 . . . . 0.0 112.767 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -52.63 -65.93 0.47 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.203 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -148.43 133.99 18.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.117 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 26.4 m0 -116.84 147.28 42.27 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.449 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 49.2 tp -86.41 120.29 27.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.194 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.649 HG11 ' HA ' ' A' ' 31' ' ' VAL . 14.6 m -135.71 150.84 28.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.658 -179.148 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.513 ' HD2' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -133.44 130.09 38.17 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.185 179.071 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.409 HG23 ' HB ' ' A' ' 29' ' ' VAL . 28.6 p -74.72 160.85 30.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.293 -179.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.519 ' HZ2' ' HB2' ' A' ' 28' ' ' TYR . 32.7 mtmm -73.01 133.42 81.8 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.063 -179.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo . . . . . 0 C--N 1.348 0.523 0 C-N-CA 122.588 2.192 . . . . 0.0 112.684 -179.866 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo . . . . . 0 C--O 1.231 0.143 0 CA-C-O 120.787 0.245 . . . . 0.0 112.286 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.9 m -76.0 123.92 26.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.063 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 88.2 mtt180 -111.63 136.56 50.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -119.82 129.93 54.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -147.38 143.08 10.84 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.553 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 40.1 m95 -76.85 119.5 20.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.771 0.319 . . . . 0.0 110.877 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 31.6 m -128.13 169.41 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 53.9 m -84.5 112.46 42.16 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.809 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.484 ' HA ' HD21 ' A' ' 62' ' ' LEU . 61.7 Cg_endo -72.62 -1.15 9.89 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.284 1.989 . . . . 0.0 112.466 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.77 -29.72 70.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.102 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -98.24 13.64 30.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.633 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.484 HD21 ' HA ' ' A' ' 59' ' ' PRO . 5.7 mp -105.86 165.68 11.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.114 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -121.96 140.38 52.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.841 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 51.9 ttp180 -80.39 118.51 22.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.289 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 69.6 mtp180 -136.33 149.53 48.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.571 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 91.7 mt . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.24 -179.744 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.747 0.308 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -122.2 110.2 15.43 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.85 0.357 . . . . 0.0 111.606 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.62 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 41.8 mt -84.41 135.52 24.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.281 179.625 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -120.35 131.94 55.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.538 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.1 p -93.22 141.48 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.171 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.5 t -94.24 123.52 46.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.785 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 70.8 p -130.1 14.76 5.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.403 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -122.2 3.09 9.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.289 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.8 t70 52.9 68.98 0.75 Allowed 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.785 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -86.21 95.84 9.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.929 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.46 HD13 ' HD2' ' A' ' 13' ' ' PRO . 47.6 tp -109.29 123.23 37.31 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.788 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.46 ' HD2' HD13 ' A' ' 12' ' ' LEU . 45.0 Cg_exo -58.14 147.24 84.54 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.408 2.072 . . . . 0.0 112.292 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.437 HD13 ' N ' ' A' ' 14' ' ' LEU . 4.6 mp -95.98 96.04 8.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.471 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.38 -175.03 42.3 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.34 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.94 105.65 17.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.819 0.342 . . . . 0.0 111.081 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -110.06 149.0 30.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.782 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -79.71 145.01 33.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.039 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 58.77 23.21 10.93 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.0 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -107.91 162.52 13.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.344 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.9 tt -141.07 140.77 32.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.795 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.0 p -84.58 128.72 34.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.365 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.423 HD12 HG12 ' A' ' 57' ' ' VAL . 32.7 mt -109.91 163.99 13.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.993 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -134.08 133.28 40.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.721 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -61.72 101.12 0.17 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.744 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.82 11.17 4.51 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.344 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -101.37 162.01 13.21 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 120.889 0.376 . . . . 0.0 111.206 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.438 ' HB3' HG23 ' A' ' 4' ' ' ILE . 66.0 m-85 -123.6 141.42 52.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.619 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.472 HG23 ' HB ' ' A' ' 42' ' ' VAL . 2.6 p -159.27 123.79 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.041 0.448 . . . . 0.0 112.178 -179.641 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.62 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 9.9 pt-20 -76.56 153.44 35.38 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.722 178.6 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.554 ' HA ' HG13 ' A' ' 42' ' ' VAL . 13.7 p -90.13 144.33 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.107 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.3 mt -105.2 -72.92 0.69 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.961 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.558 ' HB3' ' HB3' ' A' ' 41' ' ' LEU . 18.2 t70 -83.47 -79.57 0.2 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.917 -178.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.521 ' HB2' HG22 ' A' ' 31' ' ' VAL . . . 62.3 102.35 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.708 -179.112 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -125.25 -62.6 1.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.351 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.414 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 45.7 m-70 -96.09 139.95 22.02 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 -179.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 36' ' ' HIS . 50.7 Cg_exo -58.17 -21.06 49.56 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.842 2.361 . . . . 0.0 112.529 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.16 -55.84 29.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.774 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.2 ptt180 -144.6 139.95 28.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.965 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 36.8 m0 -113.91 139.62 49.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.725 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.558 ' HB3' ' HB3' ' A' ' 33' ' ' ASP . 57.2 tp -84.74 126.83 33.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.468 179.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.554 HG13 ' HA ' ' A' ' 31' ' ' VAL . 22.6 m -136.28 164.52 31.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.993 0.425 . . . . 0.0 111.573 -179.662 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -141.98 112.03 6.88 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.267 179.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.3 p -57.89 150.07 21.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.007 0.432 . . . . 0.0 111.65 -179.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.61 ' HZ3' ' HB2' ' A' ' 45' ' ' LYS . 9.0 mtmp? -74.58 136.37 74.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.9 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo . . . . . 0 C--N 1.348 0.505 0 C-N-CA 122.537 2.158 . . . . 0.0 112.446 179.897 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo . . . . . 0 C--O 1.231 0.159 0 CA-C-O 120.788 0.245 . . . . 0.0 112.169 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.9 t -74.58 129.56 37.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.988 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 -110.57 137.4 48.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.054 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.445 ' HG2' HD12 ' A' ' 41' ' ' LEU . 17.0 tt0 -118.99 126.33 51.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.507 179.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -152.56 163.45 30.34 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.889 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 71.7 m95 -86.08 136.79 33.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.636 0.255 . . . . 0.0 110.409 179.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.423 HG12 HD12 ' A' ' 23' ' ' LEU . 29.4 m -137.67 172.32 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.868 0.366 . . . . 0.0 111.578 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.5 p -92.93 122.53 63.55 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.757 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.78 -10.39 19.95 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.402 2.068 . . . . 0.0 112.71 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.07 -27.04 68.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.333 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -106.32 17.11 23.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.1 mp -111.12 138.65 47.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.11 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -106.71 127.29 53.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.735 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 30.8 ttm180 -62.77 120.5 11.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -139.09 115.31 10.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.587 HD22 ' H ' ' A' ' 66' ' ' LEU . 1.6 pt? . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.471 ' HB3' ' HB2' ' A' ' 30' ' ' GLU . 32.7 m-85 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.65 0.262 . . . . 0.0 110.688 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -122.28 111.03 16.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.28 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.589 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 35.8 mt -84.64 112.71 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.098 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -94.99 145.2 25.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.007 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.2 p -110.71 135.34 50.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.119 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.0 t -78.73 116.72 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.93 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.7 p -120.79 14.24 11.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.206 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -132.82 3.73 3.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.115 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.7 t70 56.33 90.44 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -89.34 93.24 9.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.948 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tt -104.87 107.15 57.81 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.507 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -58.32 124.22 15.37 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.359 2.039 . . . . 0.0 112.413 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 80.3 mt -77.33 95.23 4.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.907 0.384 . . . . 0.0 110.213 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 100.1 -166.22 19.97 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.837 -0.696 . . . . 0.0 112.442 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.41 104.03 13.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.723 0.297 . . . . 0.0 110.982 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -105.11 144.79 31.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.001 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -72.43 146.02 47.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.952 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 60.42 14.15 4.56 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.203 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -103.43 153.2 20.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.168 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.4 tt -130.29 142.88 42.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.948 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 82.1 p -86.57 135.46 33.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.192 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.6 mt -128.65 158.73 37.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.42 ' N ' ' HD3' ' A' ' 24' ' ' ARG . 0.2 OUTLIER -126.16 144.91 50.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.734 179.815 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -61.65 106.21 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 126.6 12.88 3.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.47 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -101.3 167.54 10.12 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 120.779 0.323 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -129.96 137.34 50.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.838 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.7 p -159.79 123.52 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.79 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.589 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 10.9 pt-20 -76.29 153.61 35.78 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.226 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.618 ' HA ' HG11 ' A' ' 42' ' ' VAL . 10.2 p -90.5 143.91 10.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 71.7 mt -102.12 -78.75 0.53 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -100.58 132.18 46.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.96 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -131.56 123.85 28.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.072 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -153.4 -60.09 0.14 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.089 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -91.73 119.9 68.27 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -53.81 -24.01 29.2 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.704 2.27 . . . . 0.0 112.57 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.2 -62.78 1.52 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.285 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -142.8 143.48 32.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.877 0.37 . . . . 0.0 111.389 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 40.0 m0 -121.27 151.62 39.82 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.893 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 67.4 tp -82.87 118.08 23.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.47 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.618 HG11 ' HA ' ' A' ' 31' ' ' VAL . 22.6 m -133.28 148.96 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 0.0 111.483 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -131.14 123.61 28.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.995 0.426 . . . . 0.0 110.271 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.4 p -70.55 148.55 48.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.338 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.551 ' HB3' ' HZ2' ' A' ' 45' ' ' LYS . 7.3 mtpm? -67.37 114.52 19.45 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.42 ' HG3' ' HB3' ' A' ' 52' ' ' SER . 49.1 Cg_endo . . . . . 0 C--N 1.348 0.513 0 C-N-CA 122.382 2.054 . . . . 0.0 112.16 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo . . . . . 0 C--O 1.231 0.142 0 CA-C-O 120.78 0.242 . . . . 0.0 112.093 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.42 ' HB3' ' HG3' ' A' ' 46' ' ' PRO . 86.3 p -75.69 118.62 18.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -118.37 156.66 28.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.633 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -144.87 134.66 23.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.997 0.427 . . . . 0.0 111.324 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -149.52 152.2 24.2 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.058 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 55.6 m95 -73.92 131.85 41.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.841 0.353 . . . . 0.0 110.98 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.0 m -127.56 167.57 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.096 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 63.1 m -98.69 114.09 65.03 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.813 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -68.98 -7.11 19.91 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.327 2.018 . . . . 0.0 112.494 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.86 -4.72 42.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.221 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -124.9 1.55 8.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.738 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.6 mp -110.14 147.3 33.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.206 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -105.08 146.33 29.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.77 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 49.3 ttp180 -79.52 120.95 24.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.16 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 60.7 ttt180 -140.9 111.92 7.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.026 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.726 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.449 ' HB3' ' HB2' ' A' ' 30' ' ' GLU . 39.4 m-85 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.697 0.284 . . . . 0.0 110.679 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -121.83 113.02 19.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.395 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.586 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 52.1 mt -84.37 110.96 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.787 179.621 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -94.62 144.6 25.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.702 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -104.3 139.17 26.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.258 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 62.3 t -93.41 110.47 23.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.067 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.1 p -117.61 21.37 13.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.059 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -121.8 8.36 9.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.134 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.4 t70 53.65 67.84 0.94 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.723 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -79.64 95.45 5.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.769 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 65.2 tp -113.38 113.78 48.27 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -58.57 150.25 70.42 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.484 2.123 . . . . 0.0 112.516 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.01 95.05 10.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.18 0.514 . . . . 0.0 110.652 179.261 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.87 -122.07 18.43 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.541 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -103.49 108.84 20.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.708 0.289 . . . . 0.0 110.997 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -116.61 121.89 43.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.812 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -66.32 147.56 53.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.023 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 58.12 23.34 10.03 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.13 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -121.18 155.03 35.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.169 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.8 tt -127.63 138.22 55.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.6 t -58.4 135.6 57.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.98 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.9 mt -144.77 156.32 43.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.212 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.4 mtm180 -140.31 154.76 46.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.856 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -63.48 97.33 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.651 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 129.24 19.74 1.51 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.388 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -101.52 147.4 26.43 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 120.751 0.31 . . . . 0.0 110.826 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -117.98 137.63 52.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.686 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.517 HG23 ' HB ' ' A' ' 42' ' ' VAL . 3.1 p -159.2 124.4 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 112.038 -179.296 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.586 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 11.4 pt-20 -74.31 153.52 39.31 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.861 178.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.486 ' HA ' HG13 ' A' ' 42' ' ' VAL . 13.4 p -96.17 135.17 31.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.291 -179.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 80.6 mt -91.38 -67.36 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.842 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -105.68 145.36 31.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.023 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -110.8 16.87 21.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.034 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.06 130.59 47.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.303 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 61.23 104.6 0.03 OUTLIER Pre-proline 0 CA--C 1.532 0.274 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.953 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -54.22 -23.27 29.08 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.737 2.291 . . . . 0.0 112.926 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 56.4 tp -55.24 -55.54 30.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.046 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -139.48 125.97 20.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.973 0.416 . . . . 0.0 111.04 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 44.3 m0 -102.85 144.21 31.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.171 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 64.4 tp -80.27 133.35 35.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.105 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.517 ' HB ' HG23 ' A' ' 29' ' ' VAL . 32.9 m -134.29 161.2 41.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.039 0.447 . . . . 0.0 111.891 -179.323 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.9 ttp180 -140.44 111.68 7.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.388 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 46.8 p -58.21 140.91 52.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.498 -179.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -76.42 125.23 87.82 Favored Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.915 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo . . . . . 0 C--N 1.349 0.586 0 C-N-CA 122.361 2.041 . . . . 0.0 112.378 179.912 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--O 1.23 0.114 0 CA-C-O 120.794 0.247 . . . . 0.0 112.242 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 83.3 p -71.14 150.01 45.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -132.43 147.23 52.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.148 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -123.65 129.37 51.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.787 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -151.14 155.14 25.98 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.477 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 55.9 m95 -88.62 121.66 31.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.675 0.274 . . . . 0.0 110.722 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.3 t -123.95 157.75 30.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.166 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.435 ' O ' HD11 ' A' ' 62' ' ' LEU . 51.8 m -79.47 119.97 78.74 Favored Pre-proline 0 CA--C 1.53 0.209 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.773 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -70.16 -15.6 35.64 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.504 2.136 . . . . 0.0 112.203 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.81 -41.67 82.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.985 -179.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -96.47 16.33 18.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.583 -179.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.435 HD11 ' O ' ' A' ' 58' ' ' SER . 6.5 mp -104.65 153.59 21.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.061 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -126.9 121.05 30.68 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.846 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.545 ' H ' ' HD3' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -57.36 142.62 42.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -139.19 114.86 9.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.061 -179.886 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.925 0.393 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.449 ' O ' ' HA ' ' A' ' 30' ' ' GLU . 10.2 m-20 -91.54 111.65 23.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.008 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.542 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 42.5 mt -84.19 116.58 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.332 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -94.53 144.09 25.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.507 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -104.89 125.93 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.987 0.422 . . . . 0.0 111.027 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.487 ' HB ' ' H ' ' A' ' 26' ' ' GLY . 61.8 t -78.02 124.67 36.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.65 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 60.9 p -117.96 21.11 13.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.297 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.442 ' O ' ' HB2' ' A' ' 10' ' ' ASP . . . -127.93 -71.83 0.64 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.342 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.442 ' HB2' ' O ' ' A' ' 9' ' ' ALA . 18.2 t70 165.74 -64.5 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.217 -179.305 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 38.7 t80 59.92 79.21 0.24 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.322 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.411 HD11 HG21 ' A' ' 22' ' ' THR . 45.0 tp -118.02 123.81 29.23 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.591 179.456 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.38 127.26 23.25 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 122.155 1.903 . . . . 0.0 112.23 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.3 mt -96.77 96.6 8.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.608 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.26 -154.14 16.67 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.253 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -103.03 97.92 7.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.794 0.33 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -125.28 108.17 11.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.418 ' O ' ' HB3' ' A' ' 19' ' ' ASP . 15.9 mm100 -94.98 97.13 9.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.653 179.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.418 ' HB3' ' O ' ' A' ' 18' ' ' GLN . 4.8 p-10 170.18 -35.22 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.031 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -96.7 162.18 13.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.004 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 10.4 tt -110.82 125.1 68.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.411 HG21 HD11 ' A' ' 12' ' ' LEU . 37.7 m -61.44 112.26 2.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.179 -179.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 78.4 mt -110.01 166.14 11.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.962 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -128.04 147.95 50.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.595 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.414 ' HA ' HG13 ' A' ' 7' ' ' VAL . 43.7 tt0 -55.29 96.96 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.487 ' H ' ' HB ' ' A' ' 7' ' ' VAL . . . 116.07 31.59 1.86 Allowed Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.873 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -101.71 144.38 30.49 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 120.736 0.303 . . . . 0.0 111.174 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -103.54 131.04 51.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.615 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.557 HG23 ' HB ' ' A' ' 42' ' ' VAL . 2.6 p -159.51 124.1 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.515 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.542 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 1.4 pm0 -79.95 153.29 29.04 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.283 179.447 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.633 ' HA ' HG11 ' A' ' 42' ' ' VAL . 14.9 p -86.73 144.39 9.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.259 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 82.0 mt -104.86 -68.23 0.87 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.179 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -57.9 -74.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.413 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 58.75 78.92 0.23 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -169.7 -36.75 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.169 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -86.4 112.19 44.46 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.933 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_exo -55.36 -25.07 46.01 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.475 2.117 . . . . 0.0 112.571 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 66.3 mt -67.76 -72.17 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.407 ' HD3' ' HB3' ' A' ' 56' ' ' TRP . 17.7 ptp180 -141.81 148.98 39.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.812 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 20.2 m0 -115.67 146.47 41.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.419 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 23.9 tp -84.29 117.23 23.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.23 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.633 HG11 ' HA ' ' A' ' 31' ' ' VAL . 16.0 m -124.52 151.94 30.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.582 -179.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 -132.75 127.83 35.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.462 179.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.7 p -72.8 154.41 40.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.852 0.358 . . . . 0.0 111.196 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -71.84 140.04 83.42 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.965 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo . . . . . 0 C--N 1.349 0.592 0 C-N-CA 122.445 2.096 . . . . 0.0 112.392 179.787 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.774 0.239 . . . . 0.0 112.114 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.7 p -68.67 113.74 6.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.191 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 58.9 mtm180 -91.87 160.7 15.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.684 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -149.65 131.58 15.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.968 0.413 . . . . 0.0 111.12 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -150.62 160.98 28.84 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.503 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.407 ' HB3' ' HD3' ' A' ' 39' ' ' ARG . 75.4 m95 -77.77 134.7 37.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.781 0.324 . . . . 0.0 110.956 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.2 m -132.65 166.2 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.237 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 52.5 m -98.93 113.48 64.6 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.697 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.426 ' HA ' ' HB2' ' A' ' 62' ' ' LEU . 32.9 Cg_endo -64.08 -6.95 12.32 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.351 2.034 . . . . 0.0 112.562 -179.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.61 -15.08 63.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.075 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -124.38 14.41 8.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.426 ' HB2' ' HA ' ' A' ' 59' ' ' PRO . 10.6 mp -113.74 142.99 45.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.092 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -124.09 119.08 28.44 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.804 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 36.1 ptt180 -62.51 139.83 58.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.046 0.451 . . . . 0.0 111.164 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 -144.05 132.95 22.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.852 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.414 HD13 ' N ' ' A' ' 66' ' ' LEU . 6.0 mp . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.554 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.499 ' HB2' ' HB2' ' A' ' 30' ' ' GLU . 57.8 m-85 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.802 0.334 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -85.11 102.05 12.94 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.625 -179.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.644 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 17.8 mt -84.64 135.2 25.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.224 179.547 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -110.28 159.7 17.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.575 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.7 p -113.84 131.15 66.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.022 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.58 HG22 ' HG3' ' A' ' 27' ' ' GLN . 2.8 t -77.61 130.7 35.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.5 p -139.55 18.09 2.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.636 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -136.58 -0.9 2.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.692 0.282 . . . . 0.0 111.425 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.1 t70 58.17 92.28 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -93.83 85.93 4.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.016 0.436 . . . . 0.0 110.346 179.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.7 tp -111.46 110.8 55.38 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.774 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -58.58 146.62 90.56 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.177 1.918 . . . . 0.0 112.108 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.566 ' H ' HD22 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -95.92 95.66 8.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.115 0.483 . . . . 0.0 110.519 179.628 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.42 -120.23 5.09 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.541 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -110.41 105.38 14.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.761 0.315 . . . . 0.0 111.22 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.4 ' HB3' ' HB2' ' A' ' 20' ' ' ALA . 8.9 tp10 -99.37 141.27 32.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.659 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -78.17 123.17 26.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.015 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 54.16 62.57 2.52 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.991 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.4 ' HB2' ' HB3' ' A' ' 17' ' ' GLU . . . -142.27 167.6 21.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.214 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 12.3 tt -136.32 133.2 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.878 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 65.5 m -67.98 130.09 41.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.7 mt -134.77 169.24 17.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.268 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.9 mtp180 -134.6 145.76 48.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.952 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -66.69 106.04 1.72 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.535 ' H ' ' HB ' ' A' ' 7' ' ' VAL . . . 129.38 8.75 3.5 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.901 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.58 ' HG3' HG22 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -103.74 166.75 10.23 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.958 0.408 . . . . 0.0 111.065 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.41 ' HB3' ' CG2' ' A' ' 4' ' ' ILE . 24.4 m-85 -120.76 143.2 48.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.662 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.446 HG23 ' HB ' ' A' ' 42' ' ' VAL . 2.7 p -155.87 123.26 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-O 121.005 0.431 . . . . 0.0 111.844 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.644 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 11.9 pt-20 -77.29 153.76 33.59 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.37 179.292 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.62 ' HA ' HG11 ' A' ' 42' ' ' VAL . 13.9 p -94.38 144.35 9.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.045 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.427 HD13 ' HG2' ' A' ' 43' ' ' ARG . 66.9 mt -102.2 -81.4 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.317 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -62.02 -53.39 56.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.321 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 60.73 23.25 13.15 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.612 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -99.57 156.09 17.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.149 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 64.9 108.96 0.03 OUTLIER Pre-proline 0 CA--C 1.531 0.243 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.991 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -52.59 -24.73 23.47 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 122.851 2.367 . . . . 0.0 112.858 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 50.4 tp -54.24 -71.14 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.977 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -140.24 143.58 36.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.791 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 35.2 m0 -110.44 142.95 41.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.488 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 42.4 tp -80.22 123.79 28.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.773 178.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.62 HG11 ' HA ' ' A' ' 31' ' ' VAL . 16.8 m -134.67 155.18 38.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.124 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.509 ' HB3' ' HB3' ' A' ' 54' ' ' GLN . 6.6 ptp180 -130.18 121.86 27.05 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.197 178.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.2 p -65.44 146.58 54.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.948 0.404 . . . . 0.0 111.323 -179.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -71.88 126.07 91.46 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.125 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo . . . . . 0 C--N 1.349 0.576 0 C-N-CA 122.258 1.972 . . . . 0.0 112.11 179.606 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo . . . . . 0 C--O 1.231 0.163 0 CA-C-O 120.784 0.243 . . . . 0.0 112.184 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.3 p -71.31 134.84 47.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.055 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 31.4 mmm180 -109.81 158.63 17.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.803 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.509 ' HB3' ' HB3' ' A' ' 43' ' ' ARG . 12.3 pt20 -140.83 131.16 25.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.048 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -149.44 158.88 27.84 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.543 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 36.7 m95 -79.97 120.16 23.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.802 0.335 . . . . 0.0 110.67 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.7 m -119.17 171.84 6.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.299 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.7 m -93.18 108.18 30.95 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.787 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.2 -1.89 9.58 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.376 2.051 . . . . 0.0 112.344 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.47 -13.75 62.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.202 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -117.59 -0.68 11.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.058 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.0 mp -102.3 141.37 35.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.226 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -104.87 133.09 50.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.793 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -74.55 115.03 13.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.037 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 27.8 mmm180 -138.29 115.89 11.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.785 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 68.4 tp . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.041 179.93 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.483 ' HB3' ' HB2' ' A' ' 30' ' ' GLU . 3.5 m-85 . . . . . 0 CA--C 1.528 0.109 0 CA-C-O 120.718 0.294 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -104.39 106.59 17.14 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.23 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.627 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 63.6 mt -83.96 116.63 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.089 0.471 . . . . 0.0 111.55 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -97.35 126.91 42.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.619 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -91.26 136.03 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.001 0.429 . . . . 0.0 111.352 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 48.6 t -86.93 125.03 40.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.709 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.403 ' HA ' ' HG3' ' A' ' 25' ' ' GLU . 71.8 p -136.71 18.55 3.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.364 -179.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -125.09 8.37 7.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.289 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.422 ' HA ' ' HB2' ' A' ' 25' ' ' GLU . 19.6 t70 56.38 90.24 0.04 OUTLIER 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.786 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -105.58 92.7 4.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mp -117.39 133.46 23.22 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -61.04 134.99 56.11 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.369 2.046 . . . . 0.0 112.266 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.42 ' O ' HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -97.55 96.37 8.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.08 0.467 . . . . 0.0 110.856 179.466 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.13 -107.31 2.68 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.381 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -123.22 102.23 7.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.753 0.311 . . . . 0.0 111.165 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -105.9 153.51 21.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.644 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.0 mp0 -88.78 140.18 29.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.349 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 40.27 39.58 0.69 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.85 179.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -110.25 132.28 54.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.898 0.38 . . . . 0.0 111.197 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.435 ' HB ' ' HA2' ' A' ' 55' ' ' GLY . 14.0 tt -102.47 142.75 16.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.008 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 82.1 p -68.31 112.6 5.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.8 mt -123.84 148.63 46.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.017 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -119.65 147.07 44.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.701 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.422 ' HB2' ' HA ' ' A' ' 10' ' ' ASP . 41.8 tt0 -63.03 104.09 0.53 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.057 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 126.67 17.15 2.38 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.411 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -101.22 168.01 9.84 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 120.843 0.354 . . . . 0.0 111.209 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.44 ' HB3' HG23 ' A' ' 4' ' ' ILE . 44.8 m-85 -130.43 138.76 50.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.844 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.48 HG23 ' HB ' ' A' ' 42' ' ' VAL . 3.3 p -159.18 123.71 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-O 120.939 0.4 . . . . 0.0 112.029 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.627 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 12.0 pt-20 -74.6 153.9 38.8 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.272 179.166 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.607 ' HA ' HG11 ' A' ' 42' ' ' VAL . 13.6 p -92.47 144.93 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.095 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.434 HD13 ' HG2' ' A' ' 43' ' ' ARG . 47.1 mt -108.55 -79.25 0.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.77 -179.298 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -64.38 -72.54 0.14 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.89 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.414 ' HB1' HG22 ' A' ' 31' ' ' VAL . . . 63.19 92.74 0.06 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.376 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -150.65 -73.13 0.16 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.305 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -61.84 116.44 21.18 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.677 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -50.05 -27.24 16.32 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.815 2.344 . . . . 0.0 112.907 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 45.1 tp -61.16 -62.13 2.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.258 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -145.68 153.79 41.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.981 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 39.8 m0 -120.68 149.43 42.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.3 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 36.0 tp -80.77 118.84 22.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.364 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.607 HG11 ' HA ' ' A' ' 31' ' ' VAL . 9.8 m -135.49 143.07 37.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.53 -179.515 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.434 ' HG2' HD13 ' A' ' 32' ' ' LEU . 4.5 ptp180 -118.45 125.34 49.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.187 179.362 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 57.5 p -67.45 135.08 52.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.866 0.365 . . . . 0.0 111.114 -179.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -62.89 140.18 97.41 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.75 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo . . . . . 0 N--CA 1.457 -0.642 0 C-N-CA 122.715 2.276 . . . . 0.0 112.448 -179.785 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo . . . . . 0 C--O 1.231 0.142 0 CA-C-O 120.818 0.258 . . . . 0.0 112.207 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.3 p -93.48 132.97 37.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.097 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -126.21 156.61 39.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.844 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -127.79 128.75 45.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.273 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.435 ' HA2' ' HB ' ' A' ' 21' ' ' ILE . . . -140.68 145.32 16.0 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 121.032 -0.604 . . . . 0.0 112.238 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 61.5 m95 -75.15 118.22 17.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.772 0.32 . . . . 0.0 110.796 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.522 HG13 ' H ' ' A' ' 58' ' ' SER . 1.9 t -112.38 168.94 4.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -179.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.522 ' H ' HG13 ' A' ' 57' ' ' VAL . 49.9 m -96.91 104.25 17.91 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.736 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -63.86 -7.62 13.63 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.392 2.061 . . . . 0.0 112.538 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.37 -1.9 25.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.997 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -132.24 13.7 4.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.981 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.423 ' HA ' HD12 ' A' ' 62' ' ' LEU . 2.3 mm? -100.85 179.36 4.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.154 0.502 . . . . 0.0 111.661 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -145.66 144.51 30.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.236 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -70.89 125.67 27.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.974 0.416 . . . . 0.0 111.196 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -141.23 114.96 9.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.377 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.207 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 20.4 mm . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.902 0.382 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -91.22 174.64 7.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.643 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -122.32 110.23 15.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.864 0.364 . . . . 0.0 111.623 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.537 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 42.9 mt -85.41 114.46 25.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.108 179.436 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -97.77 158.82 15.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.695 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -124.63 141.29 45.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.47 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.8 t -85.87 108.72 17.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.821 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.7 p -109.67 17.56 21.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.479 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -141.89 12.27 2.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.395 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.2 t70 63.78 152.91 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.962 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -151.0 93.6 1.95 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.888 0.375 . . . . 0.0 110.972 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.507 HD22 HH11 ' A' ' 24' ' ' ARG . 95.0 mt -116.27 109.31 44.49 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.913 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -57.89 120.12 7.81 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.423 2.082 . . . . 0.0 112.45 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 83.8 mt -87.6 96.6 10.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.634 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.17 -138.72 14.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.422 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -118.12 108.94 15.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.779 0.323 . . . . 0.0 111.163 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -108.92 126.41 53.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.624 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.619 HE21 ' H ' ' A' ' 19' ' ' ASP . 22.3 tp60 -82.5 142.07 32.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.962 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.619 ' H ' HE21 ' A' ' 18' ' ' GLN . 28.9 m-20 61.34 24.22 14.36 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.09 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -112.75 158.79 19.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.271 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.444 ' HB ' ' HA2' ' A' ' 55' ' ' GLY . 17.4 tt -130.47 144.65 37.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.873 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 78.2 p -77.95 149.98 34.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.022 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.47 HD12 HG13 ' A' ' 57' ' ' VAL . 55.8 mt -145.77 152.63 39.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.237 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.507 HH11 HD22 ' A' ' 12' ' ' LEU . 29.0 mmm180 -119.24 138.96 52.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.654 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -57.22 99.83 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 126.21 20.82 1.95 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.243 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -101.02 161.35 13.66 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 120.76 0.314 . . . . 0.0 111.028 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -122.74 135.06 54.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.736 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.0 p -159.54 123.49 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.975 0.417 . . . . 0.0 111.954 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.537 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 10.0 pt-20 -78.85 153.24 30.76 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.983 179.118 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.491 ' HA ' HG13 ' A' ' 42' ' ' VAL . 14.1 p -90.21 135.75 25.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.917 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 83.7 mt -85.7 -66.55 0.89 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.111 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -138.75 151.66 47.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.042 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -102.58 108.3 19.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.016 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -92.19 -77.91 0.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.297 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -113.39 145.17 32.72 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.972 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -56.68 -21.7 40.58 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.69 2.26 . . . . 0.0 112.259 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.417 ' N ' HD13 ' A' ' 38' ' ' LEU . 6.7 mp -68.86 -49.53 57.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.953 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.484 ' HE ' ' HB3' ' A' ' 56' ' ' TRP . 12.5 ptm180 -147.11 132.25 18.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 25.0 m0 -103.64 155.85 18.25 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.236 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 38.1 tp -79.4 126.24 30.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.636 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.491 HG13 ' HA ' ' A' ' 31' ' ' VAL . 29.5 m -138.49 154.32 27.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.314 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -141.57 116.97 10.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.77 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 65.1 p -58.79 154.69 14.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.196 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -91.61 132.11 34.21 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.973 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.92 149.12 32.68 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.313 2.009 . . . . 0.0 112.204 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.7 t -139.8 135.86 33.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.255 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? 65.04 -81.12 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.188 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 37.9 t -147.94 12.46 0.98 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.755 0.312 . . . . 0.0 111.184 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 54.4 m -81.14 120.51 78.76 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.976 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo -60.22 142.53 98.46 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.598 2.199 . . . . 0.0 112.352 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 77.8 p -82.1 126.08 31.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.996 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -109.65 148.1 31.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -123.58 127.14 47.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.128 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.444 ' HA2' ' HB ' ' A' ' 21' ' ' ILE . . . -151.76 151.76 23.62 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.325 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.484 ' HB3' ' HE ' ' A' ' 39' ' ' ARG . 78.0 m95 -77.42 135.79 38.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.634 0.255 . . . . 0.0 110.539 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.47 HG13 HD12 ' A' ' 23' ' ' LEU . 26.6 m -131.23 166.05 29.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.28 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 52.9 m -92.28 119.85 67.93 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.51 -3.67 13.87 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.415 2.077 . . . . 0.0 112.643 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.42 -5.03 42.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.105 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -128.04 6.8 6.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.6 mp -109.25 131.51 55.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.901 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -109.08 146.41 34.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.799 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 -62.39 126.81 28.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.843 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -142.25 136.75 30.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.815 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.6 pp -109.06 144.57 36.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.232 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.689 ' H ' ' HD3' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -88.59 163.38 15.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.832 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.9 tt . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.577 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 69.9 mt . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.78 0.324 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.468 ' HB3' ' HB2' ' A' ' 30' ' ' GLU . 86.0 m-85 -79.24 165.31 23.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -122.27 111.35 16.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.863 0.363 . . . . 0.0 111.447 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.612 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 45.6 mt -84.51 136.55 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -114.54 160.12 19.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.664 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.69 135.35 63.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.391 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.0 t -87.56 125.94 41.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.763 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.7 p -129.93 18.48 5.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.273 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -135.43 8.06 3.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.323 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.5 t70 57.14 90.34 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.755 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -103.54 98.55 8.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.027 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 pp -117.1 142.39 29.93 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.726 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.483 ' HD3' ' HA ' ' A' ' 22' ' ' THR . 39.8 Cg_exo -58.85 120.35 8.18 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.44 2.094 . . . . 0.0 112.404 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 86.3 mt -81.64 95.88 7.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.238 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 86.67 -122.3 6.07 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.173 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -127.24 102.33 6.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.815 0.341 . . . . 0.0 111.137 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -109.83 153.07 24.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -95.56 144.94 25.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.02 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 58.96 21.25 9.03 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.09 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -108.34 148.6 29.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.183 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.476 ' HB ' ' HA2' ' A' ' 55' ' ' GLY . 17.8 tt -121.94 147.72 25.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.835 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.483 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 45.6 m -83.79 115.67 22.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.378 -179.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 76.0 mt -110.03 154.89 22.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.721 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -118.68 143.62 46.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.688 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -61.38 101.89 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.771 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 120.0 17.62 4.51 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.332 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -101.33 144.02 30.67 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 120.784 0.326 . . . . 0.0 111.01 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -108.89 139.31 43.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.682 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.455 HG23 ' HB ' ' A' ' 42' ' ' VAL . 2.1 p -159.2 123.52 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.464 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.612 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 11.0 pt-20 -75.5 153.48 37.49 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.94 178.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.451 ' HA ' HG13 ' A' ' 42' ' ' VAL . 14.5 p -92.43 142.61 12.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.252 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 71.2 mt -106.08 -70.44 0.79 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.884 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -115.1 166.57 11.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -110.36 -61.61 1.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.941 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 59.76 -87.11 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.409 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -87.75 119.56 70.63 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.595 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -51.08 -28.44 24.96 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.714 2.276 . . . . 0.0 112.664 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.3 tt -72.53 -63.57 1.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.741 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -113.09 130.02 56.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 30.7 m0 -105.76 154.86 19.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.223 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 64.1 tp -80.33 130.95 35.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.426 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.455 ' HB ' HG23 ' A' ' 29' ' ' VAL . 27.1 m -135.01 155.42 38.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.922 0.391 . . . . 0.0 111.402 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -136.97 111.73 8.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.63 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 65.2 p -53.54 121.98 8.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.338 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -64.94 116.93 34.08 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.689 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -79.83 173.41 12.89 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.47 2.114 . . . . 0.0 112.767 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.0 t -169.47 144.24 2.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.601 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.3 mttm 65.38 -79.91 0.03 OUTLIER 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.5 t -154.95 24.45 0.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.99 0.424 . . . . 0.0 110.535 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 45.0 m -80.71 119.83 77.32 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.978 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -60.69 129.24 28.49 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.64 2.227 . . . . 0.0 112.323 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.4 t -85.61 142.83 28.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.782 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -134.58 157.03 47.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.948 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -127.12 131.72 50.74 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.476 ' HA2' ' HB ' ' A' ' 21' ' ' ILE . . . -151.27 162.39 29.49 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.65 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 52.4 m95 -104.31 115.34 30.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.745 0.307 . . . . 0.0 110.711 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.5 m -130.45 166.76 27.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.253 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.1 m -84.54 115.12 59.08 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.02 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.412 ' HA ' HD23 ' A' ' 62' ' ' LEU . 58.5 Cg_endo -71.12 -2.44 11.12 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.385 2.057 . . . . 0.0 112.439 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.68 -37.87 85.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.041 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -90.89 8.0 37.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.721 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 59' ' ' PRO . 4.9 mp -100.97 167.63 10.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.084 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -133.75 137.13 45.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.752 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 65.4 mtm180 -65.61 133.98 52.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.258 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 63.6 ttt-85 -137.4 126.83 24.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.664 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 98.7 mt -126.77 137.19 53.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.017 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt 60.25 -178.01 0.1 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.21 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 60.6 tp . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.291 -0.861 . . . . 0.0 110.812 179.975 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 23.8 pt . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.812 0.339 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 57.0 -166.65 0.13 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.086 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -118.17 102.92 9.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.391 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.614 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 37.5 mt -84.53 133.04 30.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.002 179.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -111.48 156.34 21.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.935 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.6 p -119.49 128.1 75.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.033 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.9 t -80.23 113.64 19.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.405 ' HA ' ' HG3' ' A' ' 25' ' ' GLU . 41.4 p -128.21 32.73 4.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.415 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -149.52 3.89 0.58 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.634 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 61.58 111.86 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.102 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -127.9 102.99 7.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.087 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.8 tp -117.26 122.25 31.33 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.808 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.4 138.6 85.23 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.381 2.054 . . . . 0.0 112.264 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.0 mt -106.63 96.6 6.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.698 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.35 -139.12 14.71 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.516 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -122.02 109.53 14.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.782 0.325 . . . . 0.0 111.093 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -112.23 115.3 28.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -76.22 148.38 37.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 57.91 20.16 6.45 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.314 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -105.64 170.59 7.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.821 0.343 . . . . 0.0 111.053 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 17.2 tt -137.5 137.36 45.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.948 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.1 t -71.56 147.17 47.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.067 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.435 HD12 HG12 ' A' ' 57' ' ' VAL . 96.0 mt -132.0 156.15 46.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.009 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 -137.35 139.98 41.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.732 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.405 ' HG3' ' HA ' ' A' ' 8' ' ' THR . 38.9 tt0 -59.04 103.98 0.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.08 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 127.32 4.7 5.8 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.698 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -101.45 155.59 17.97 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 120.866 0.365 . . . . 0.0 111.154 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -118.43 140.58 49.64 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.535 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.4 p -159.04 123.89 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.614 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 9.5 pt-20 -74.96 153.23 38.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.054 178.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.518 ' HA ' HG13 ' A' ' 42' ' ' VAL . 14.8 p -94.94 144.66 9.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.219 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 93.1 mt -104.98 -71.42 0.74 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.529 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -60.72 -77.97 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.791 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.52 87.34 0.1 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.996 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -143.04 -73.86 0.28 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.326 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 71.6 m80 -84.25 125.02 73.29 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -51.79 -23.01 14.81 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.669 2.246 . . . . 0.0 112.56 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.27 -66.62 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.426 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.474 HH21 ' HB2' ' A' ' 56' ' ' TRP . 10.8 ptm180 -145.15 144.15 30.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.292 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 50.8 m0 -122.23 154.36 37.62 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.313 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 37.7 tp -92.07 102.1 14.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.133 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.518 HG13 ' HA ' ' A' ' 31' ' ' VAL . 33.2 m -107.43 151.51 9.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.488 -179.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.418 ' HE ' ' HG2' ' A' ' 54' ' ' GLN . 39.0 ttm180 -129.0 114.64 16.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.494 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.4 p -54.86 127.73 29.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.879 0.371 . . . . 0.0 111.233 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.677 ' HZ3' ' HB2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -74.55 122.06 86.65 Favored Pre-proline 0 CA--C 1.532 0.282 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.997 -179.801 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -81.14 -174.31 2.17 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.484 2.122 . . . . 0.0 112.448 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.3 t -139.08 -46.83 0.47 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.525 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.583 ' HZ2' ' HB3' ' A' ' 48' ' ' LYS . 5.4 ttpm? 179.2 -6.43 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.316 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 86.4 p -154.01 -8.74 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.177 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 47.6 t -82.23 112.41 35.76 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.798 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -59.96 115.91 2.95 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.474 2.116 . . . . 0.0 112.186 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.3 p -84.27 117.96 23.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.096 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -126.34 151.06 48.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.555 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.418 ' HG2' ' HE ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -115.66 131.1 57.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.056 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -150.97 150.96 23.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.52 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.474 ' HB2' HH21 ' A' ' 39' ' ' ARG . 88.2 m95 -76.62 121.86 23.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.827 0.346 . . . . 0.0 110.904 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.435 HG12 HD12 ' A' ' 23' ' ' LEU . 30.9 m -131.27 171.81 17.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.206 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.0 p -95.78 118.22 66.04 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.829 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -73.23 -6.73 19.4 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.283 1.989 . . . . 0.0 112.312 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.88 -32.99 74.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.2 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -93.74 9.84 35.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.939 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.8 mp -113.56 148.04 36.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -111.21 133.61 53.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.725 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -60.06 130.79 48.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.935 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -136.85 107.14 6.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.736 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 88.4 mt -121.47 133.31 55.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.016 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -147.12 -9.59 0.44 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.213 -0.899 . . . . 0.0 111.02 -179.9 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 41.7 pt . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.785 0.326 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.482 ' HB2' ' HB2' ' A' ' 30' ' ' GLU . 59.2 m-85 -142.26 -164.92 1.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.963 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -98.15 107.13 19.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.797 0.332 . . . . 0.0 111.745 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.613 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 44.4 mt -85.24 117.67 30.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.371 179.581 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -95.35 126.02 40.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.633 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -85.16 133.62 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.024 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.5 t -85.03 123.98 39.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.955 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.4 p -129.39 14.64 6.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.057 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -130.77 13.24 5.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.28 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.7 t70 68.74 -70.59 0.13 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.349 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 56.5 t80 65.55 84.75 0.15 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.034 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.87 107.57 43.97 Favored Pre-proline 0 CA--C 1.532 0.255 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.628 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -59.32 138.03 82.08 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.351 2.034 . . . . 0.0 112.351 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.0 mt -98.71 96.53 7.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.477 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.48 -168.79 14.89 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.246 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.36 103.21 15.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.718 0.294 . . . . 0.0 111.017 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -99.81 149.05 23.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.856 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -75.8 146.09 40.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.1 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.1 p30 43.51 30.8 0.37 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.493 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -101.23 167.04 10.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 16.8 tt -143.9 142.53 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.951 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 73.4 p -88.64 143.46 26.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.176 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.432 HD12 HG12 ' A' ' 57' ' ' VAL . 97.0 mt -135.7 168.68 18.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -134.36 142.11 47.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.748 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -60.3 103.77 0.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.568 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.84 13.98 3.56 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.229 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -100.96 155.29 18.05 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.951 0.405 . . . . 0.0 111.144 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -123.24 138.39 54.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.276 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.4 p -154.81 123.7 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.613 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 10.3 pt-20 -75.54 153.66 37.3 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.715 178.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.476 ' HA ' HG13 ' A' ' 42' ' ' VAL . 7.1 p -92.9 134.8 29.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.275 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 68.4 mt -85.01 -67.84 0.77 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.678 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -112.21 156.97 21.47 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.069 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -153.46 117.52 4.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.086 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -157.34 -18.47 0.09 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.303 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 -117.55 113.13 38.65 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.087 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -53.67 -23.86 27.6 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.646 2.231 . . . . 0.0 112.416 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 tt -60.04 -69.44 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.723 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -144.31 127.15 16.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 12.6 m0 -94.99 153.05 17.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.2 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 59.4 tp -80.94 122.83 27.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.454 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.476 HG13 ' HA ' ' A' ' 31' ' ' VAL . 33.7 m -126.09 162.77 29.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 121.073 0.463 . . . . 0.0 111.898 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.0 ttt180 -142.41 111.7 6.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.528 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.5 p -58.42 148.04 29.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.301 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 58.3 mtpt -84.59 143.09 40.6 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.745 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 45' ' ' LYS . 58.8 Cg_endo -90.07 154.82 4.8 Favored 'Trans proline' 0 N--CA 1.454 -0.796 0 C-N-CA 122.803 2.335 . . . . 0.0 112.67 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.4 p -93.81 36.42 1.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.953 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt 63.47 17.96 10.71 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.032 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 48.2 t -162.34 -34.66 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 43.9 t -83.88 123.45 75.87 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.057 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -57.63 133.95 59.91 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.628 2.219 . . . . 0.0 112.228 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.8 m -79.19 149.12 32.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 30.8 tpt180 -128.0 139.65 52.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.73 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -112.16 127.1 55.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.156 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -152.32 163.13 30.15 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.254 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 80.1 m95 -89.79 128.19 36.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.707 0.289 . . . . 0.0 110.588 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.432 HG12 HD12 ' A' ' 23' ' ' LEU . 35.3 m -121.72 163.57 19.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.425 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 59.8 m -94.78 117.19 66.94 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.833 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.417 ' HA ' ' HB2' ' A' ' 62' ' ' LEU . 40.2 Cg_endo -67.5 -10.24 28.05 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.458 2.105 . . . . 0.0 112.457 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.33 -32.57 74.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.152 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -105.05 3.68 30.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.823 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.417 ' HB2' ' HA ' ' A' ' 59' ' ' PRO . 8.4 mp -109.51 147.39 33.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.04 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -122.64 122.38 38.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.92 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -63.69 141.81 58.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.726 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -139.42 128.4 23.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.926 0.393 . . . . 0.0 111.453 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.8 mp -121.67 101.9 7.89 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.59 179.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -94.82 134.12 37.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.954 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 tt . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.284 -0.865 . . . . 0.0 110.561 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 30.0 pt . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.774 0.321 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -85.45 170.42 12.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.972 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -122.24 109.67 14.76 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.307 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.613 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 36.9 mt -84.77 115.45 26.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.917 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -94.69 142.67 27.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.771 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.5 p -101.93 135.03 40.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 38.5 t -94.01 116.73 35.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.5 p -120.83 10.0 10.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.997 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -116.11 21.64 13.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.169 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.446 ' HA ' ' HB2' ' A' ' 25' ' ' GLU . 9.6 m-20 64.01 -80.13 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.203 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 42.3 t80 61.76 83.6 0.15 Allowed 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.235 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 mp -117.53 108.66 42.92 Favored Pre-proline 0 C--N 1.332 -0.189 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.092 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -58.6 131.35 41.91 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.184 1.922 . . . . 0.0 112.084 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.7 mt -90.86 96.21 10.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.907 0.384 . . . . 0.0 110.772 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.11 -164.49 13.16 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.302 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -103.17 100.15 10.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.813 0.339 . . . . 0.0 110.961 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -100.66 138.67 37.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -72.9 143.05 47.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 57.85 22.98 9.19 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.182 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -119.32 137.45 53.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.178 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.0 tt -114.6 138.56 44.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.6 p -74.1 137.97 43.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.741 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.404 HD13 HG12 ' A' ' 57' ' ' VAL . 84.5 mt -132.77 145.81 51.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.168 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -120.41 143.98 48.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.596 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.446 ' HB2' ' HA ' ' A' ' 10' ' ' ASP . 0.7 OUTLIER -55.21 101.28 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.592 179.875 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.97 17.36 2.78 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.578 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -101.28 134.9 43.64 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 120.84 0.352 . . . . 0.0 111.161 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -104.22 139.43 39.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.517 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.438 HG23 ' HB ' ' A' ' 42' ' ' VAL . 2.8 p -159.39 123.98 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.613 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 10.0 pt-20 -74.75 153.53 38.77 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.143 179.059 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.552 ' HA ' HG13 ' A' ' 42' ' ' VAL . 11.9 p -95.4 140.68 16.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.18 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 67.4 mt -96.39 -69.29 0.76 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.653 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -125.24 166.53 16.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.751 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -113.83 -56.65 2.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 59.58 -87.03 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.288 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -104.0 126.48 31.64 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.667 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.5 ' HA ' ' HE1' ' A' ' 40' ' ' TRP . 71.2 Cg_exo -53.5 -23.86 26.42 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.633 2.222 . . . . 0.0 112.715 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.5 tt -57.36 -55.04 39.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -137.06 138.69 40.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.941 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.5 ' HE1' ' HA ' ' A' ' 37' ' ' PRO . 54.8 m0 -109.98 153.04 25.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 49.8 tp -85.98 130.23 34.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.481 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.552 HG13 ' HA ' ' A' ' 31' ' ' VAL . 34.4 m -145.05 139.42 22.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.754 0.311 . . . . 0.0 111.653 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.478 ' HB3' ' HB3' ' A' ' 54' ' ' GLN . 14.0 ptm180 -124.03 115.64 21.53 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.307 179.122 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.9 p -65.22 154.87 36.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.232 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -84.6 139.81 38.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.676 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -70.52 138.07 34.6 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.267 1.978 . . . . 0.0 112.233 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.3 t -94.81 36.39 1.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.084 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.3 mttp 63.42 13.58 7.23 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.385 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 86.3 p -149.63 -17.83 0.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.175 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 62.8 m -128.91 117.8 19.42 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -57.42 152.85 44.42 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.464 2.109 . . . . 0.0 112.356 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.6 t -67.12 124.93 24.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.152 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.9 mtm180 -118.21 125.02 49.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.638 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.478 ' HB3' ' HB3' ' A' ' 43' ' ' ARG . 8.0 pt20 -99.84 134.77 42.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.0 0.429 . . . . 0.0 111.365 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -151.25 138.43 6.57 Favored Glycine 0 N--CA 1.451 -0.321 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.19 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 60.9 m95 -74.51 125.06 27.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.73 0.3 . . . . 0.0 110.728 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.404 HG12 HD13 ' A' ' 23' ' ' LEU . 34.9 m -132.85 172.08 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.217 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 56.6 m -85.47 113.38 50.5 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.929 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -71.02 -2.82 11.67 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.466 2.111 . . . . 0.0 112.534 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.41 -11.36 59.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.177 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -117.3 3.8 12.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.698 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.5 mp -114.39 136.18 53.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.385 -179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -117.84 131.87 56.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.317 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -55.59 149.83 13.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.962 0.41 . . . . 0.0 111.032 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 27.0 ttt180 -143.63 127.07 16.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.847 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.2 tp -105.16 119.97 40.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.968 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -76.14 121.78 23.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.025 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 95.4 mt . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.132 -0.937 . . . . 0.0 110.906 179.914 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 35.7 pt . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.741 0.305 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.45 ' HB3' ' HB2' ' A' ' 30' ' ' GLU . 52.2 m-85 -95.76 167.37 11.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.638 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -122.14 111.29 16.8 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.218 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.621 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 46.5 mt -84.54 122.68 38.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.539 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -95.91 155.11 16.89 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.624 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.1 p -121.28 138.73 50.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.109 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.7 t -88.8 119.1 35.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.8 p -127.28 17.51 7.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.117 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -132.73 2.97 3.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.394 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.1 t70 60.31 101.95 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.2 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -102.95 93.3 4.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.789 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 76.6 mt -112.99 105.28 55.81 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.685 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.415 ' HG2' HG23 ' A' ' 22' ' ' THR . 36.2 Cg_exo -58.73 128.98 30.1 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.47 2.113 . . . . 0.0 112.485 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 86.1 mt -91.6 96.24 10.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.59 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.85 -137.64 14.03 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.525 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -126.66 109.18 11.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.757 0.313 . . . . 0.0 111.085 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -106.22 124.44 49.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -63.0 149.45 44.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.264 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.2 p30 43.87 31.86 0.54 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.695 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -115.89 148.51 39.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.866 0.365 . . . . 0.0 111.042 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 14.2 tt -117.12 140.94 37.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.944 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.415 HG23 ' HG2' ' A' ' 13' ' ' PRO . 70.8 p -80.99 147.39 30.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.183 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.472 HD12 HG12 ' A' ' 57' ' ' VAL . 90.1 mt -139.1 166.56 24.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.174 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -135.86 143.04 44.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.577 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -60.17 106.97 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.69 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 120.49 17.91 4.22 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.422 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -101.21 166.02 10.99 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 120.88 0.371 . . . . 0.0 111.123 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.433 ' HB3' HG23 ' A' ' 4' ' ' ILE . 32.7 m-85 -133.01 135.45 45.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.768 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.413 ' N ' HG22 ' A' ' 4' ' ' ILE . 2.4 p -159.63 123.79 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.525 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.621 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 0.6 OUTLIER -76.84 153.39 34.86 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.137 179.277 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.559 ' HA ' HG11 ' A' ' 42' ' ' VAL . 12.7 p -87.68 143.22 11.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.176 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.487 HD12 ' HB2' ' A' ' 43' ' ' ARG . 97.1 mt -94.11 -73.0 0.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.852 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -94.51 -173.63 3.1 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -144.31 11.76 1.53 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.226 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.25 147.04 50.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.297 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 71.3 m80 59.68 98.31 0.04 OUTLIER Pre-proline 0 CA--C 1.53 0.197 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.403 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -52.79 -25.19 26.13 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 122.561 2.174 . . . . 0.0 112.37 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 61.2 tp -60.26 -66.12 0.57 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.967 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -125.6 135.78 52.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 18.5 m0 -112.42 152.27 28.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.791 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.9 tp -79.77 136.84 36.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.586 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.559 HG11 ' HA ' ' A' ' 31' ' ' VAL . 27.0 m -142.98 150.22 18.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.917 0.389 . . . . 0.0 111.545 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.487 ' HB2' HD12 ' A' ' 32' ' ' LEU . 40.5 ttm180 -136.88 111.9 8.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.436 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.9 p -57.74 155.89 9.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.515 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -85.71 133.98 40.64 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.844 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -78.2 136.81 14.74 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.47 2.113 . . . . 0.0 112.451 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.1 t -161.32 151.82 17.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt 60.48 45.43 10.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.754 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 48.5 m 61.27 20.31 10.92 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.504 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.9 m -100.56 122.91 47.94 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.865 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -62.72 154.28 66.73 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.717 2.278 . . . . 0.0 112.399 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.7 p -91.66 126.68 36.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.073 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -102.74 160.41 14.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -132.69 127.04 33.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.715 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -152.28 163.52 30.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.514 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 77.2 m95 -92.81 129.44 38.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.738 0.304 . . . . 0.0 110.602 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.472 HG12 HD12 ' A' ' 23' ' ' LEU . 35.8 m -130.45 162.65 37.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.819 0.343 . . . . 0.0 111.461 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 52.6 m -90.33 114.75 62.18 Favored Pre-proline 0 CA--C 1.531 0.227 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.739 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -71.71 -0.45 8.36 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.328 2.019 . . . . 0.0 112.458 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.06 -4.45 28.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.182 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -130.21 9.24 5.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.994 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 62' ' ' LEU . 4.2 mm? -109.62 156.28 20.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.383 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -126.21 110.55 13.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.159 179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 20.3 ptp180 -56.61 149.23 17.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.011 0.434 . . . . 0.0 111.402 -179.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.524 ' HE ' ' H ' ' A' ' 66' ' ' LEU . 6.0 tpm_? -141.18 138.37 33.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.51 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.524 ' H ' ' HE ' ' A' ' 65' ' ' ARG . 5.2 mp -94.31 124.49 38.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.798 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.568 ' HA ' ' HE2' ' A' ' 67' ' ' LYS . 0.3 OUTLIER -102.67 137.28 41.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.943 -179.866 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.451 ' H ' ' HZ1' ' A' ' 67' ' ' LYS . 76.2 mt . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.319 -0.848 . . . . 0.0 110.854 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 7.7 tp . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.889 0.376 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.446 ' HB3' ' HB2' ' A' ' 30' ' ' GLU . 92.7 m-85 -62.9 174.51 1.06 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -122.18 105.26 10.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.873 0.368 . . . . 0.0 111.54 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.615 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 47.6 mt -84.97 114.73 25.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.025 179.57 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -94.67 141.53 28.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.72 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.1 p -102.1 132.99 46.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.027 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.8 t -85.89 112.77 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.949 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.5 p -118.74 20.88 12.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.27 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -137.33 9.94 2.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.306 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.1 t70 62.75 162.27 0.09 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.797 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -161.73 93.38 0.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 63.4 tp -117.22 107.74 44.94 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.03 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -57.78 144.09 94.12 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.458 2.105 . . . . 0.0 112.549 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.2 mt -88.43 95.77 10.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.542 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.78 -134.45 18.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.367 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.46 112.71 24.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.775 0.321 . . . . 0.0 110.805 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -120.23 129.37 54.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.766 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.401 ' OE1' ' N ' ' A' ' 18' ' ' GLN . 14.1 mp0 -86.96 149.62 24.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.067 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 60.99 23.6 13.75 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.043 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -123.5 158.88 30.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.024 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.9 tt -135.9 133.52 50.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.8 t -58.63 137.23 57.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.43 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.4 mt -147.26 168.3 22.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.847 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -139.83 159.48 42.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.918 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -72.05 101.83 2.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.61 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 127.76 15.07 2.44 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.437 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -101.2 155.68 17.87 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 120.828 0.347 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -118.94 138.29 52.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.769 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.476 HG23 ' HB ' ' A' ' 42' ' ' VAL . 2.8 p -158.48 123.93 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-O 120.975 0.417 . . . . 0.0 112.033 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.615 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 11.4 pt-20 -75.16 153.46 38.19 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.821 178.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.499 ' HA ' HG11 ' A' ' 42' ' ' VAL . 13.2 p -95.17 136.27 26.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.286 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.1 mt -93.83 -52.05 4.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.881 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -139.31 173.79 11.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.05 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -124.73 -69.24 0.81 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 60.65 -85.37 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.665 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -90.89 118.04 68.34 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.984 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.501 ' HA ' ' HE1' ' A' ' 40' ' ' TRP . 74.4 Cg_exo -54.37 -26.2 42.92 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.699 2.266 . . . . 0.0 112.499 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 98.1 mt -61.87 -44.89 95.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.015 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -145.04 131.64 19.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.172 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.501 ' HE1' ' HA ' ' A' ' 37' ' ' PRO . 52.7 m0 -106.6 145.95 31.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.7 tp -80.29 131.98 35.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.924 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.499 HG11 ' HA ' ' A' ' 31' ' ' VAL . 31.5 m -135.76 160.98 39.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.59 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -137.03 111.94 8.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.48 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.9 p -62.71 158.21 19.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.327 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -86.64 127.95 58.5 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.869 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -75.05 150.23 37.64 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.457 2.105 . . . . 0.0 112.593 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.4 p -102.89 -159.26 0.72 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.813 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.0 mmtm -76.56 3.48 11.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.45 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.1 m -154.88 -30.81 0.1 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.455 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 45.8 t -84.02 114.37 53.82 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.328 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -65.81 157.63 57.94 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.593 2.195 . . . . 0.0 112.083 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.3 t -72.41 123.05 22.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.044 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -109.41 145.12 36.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.552 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -122.76 127.28 48.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -151.92 162.69 29.83 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.661 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 79.0 m95 -89.91 138.51 31.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.684 0.278 . . . . 0.0 110.535 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.4 m -134.57 171.96 16.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.346 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 59.9 p -94.09 111.15 52.07 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.692 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.47 -3.4 12.4 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.301 2.001 . . . . 0.0 112.483 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.6 -3.4 30.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.119 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -132.83 13.54 4.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.7 mp -110.74 143.63 40.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.466 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -116.02 127.25 54.76 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.507 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -73.63 130.86 40.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.985 0.422 . . . . 0.0 111.396 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.6 mtp180 -142.27 141.46 32.47 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.487 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 85.6 mt -113.13 122.11 46.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.073 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -103.92 111.72 24.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.696 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.486 ' N ' HD22 ' A' ' 68' ' ' LEU . 1.1 pt? . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.604 -0.712 . . . . 0.0 111.103 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 65.1 mt . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.708 0.29 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 60.53 101.86 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.102 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.471 ' O ' ' HA ' ' A' ' 30' ' ' GLU . 12.5 t0 -95.86 103.62 15.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.605 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.569 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 42.8 mt -83.85 138.24 19.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.986 0.422 . . . . 0.0 111.436 -179.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -120.88 160.08 24.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.533 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.7 p -122.95 130.42 74.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.099 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 49.0 t -82.47 121.41 35.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.703 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.402 ' HA ' ' HG2' ' A' ' 25' ' ' GLU . 79.0 p -127.84 29.71 5.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.246 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -144.12 10.11 1.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.31 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 55.88 93.69 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.066 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -91.28 82.43 5.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.867 0.365 . . . . 0.0 110.847 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -115.92 108.98 45.61 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.1 133.94 56.37 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.33 2.02 . . . . 0.0 112.212 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 78.3 mt -102.46 96.75 7.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.667 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 114.21 -164.72 12.04 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.275 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.43 97.7 10.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.797 0.332 . . . . 0.0 111.082 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -109.53 153.03 24.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 -104.59 148.51 26.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.596 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 59.83 18.6 7.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -107.49 125.79 51.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.157 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 14.7 tt -102.71 139.3 24.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.1 p -80.17 125.06 29.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.534 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.7 mt -127.57 142.58 51.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.951 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -106.4 133.62 50.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.773 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.402 ' HG2' ' HA ' ' A' ' 8' ' ' THR . 2.1 tm-20 -51.74 115.09 1.48 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.716 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 117.12 13.36 7.73 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.291 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -101.25 152.73 20.32 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 120.806 0.336 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -117.01 137.7 52.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.482 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.428 ' HB ' HG23 ' A' ' 44' ' ' THR . 2.2 p -159.0 124.48 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -179.516 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.569 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 0.2 OUTLIER -80.41 153.14 28.46 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.392 178.633 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.528 ' HA ' HG11 ' A' ' 42' ' ' VAL . 11.9 p -87.5 137.04 21.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.896 0.379 . . . . 0.0 111.483 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.4 mt -87.98 -77.22 0.36 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.883 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -102.56 129.7 49.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -101.45 105.41 16.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -145.48 125.89 14.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 33.7 m80 63.78 109.69 0.03 OUTLIER Pre-proline 0 CA--C 1.532 0.262 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.983 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -51.54 -23.88 15.7 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.723 2.282 . . . . 0.0 112.699 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.8 mt -56.01 -55.52 31.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.174 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.551 HH21 ' HB2' ' A' ' 56' ' ' TRP . 11.5 ptm180 -146.07 131.34 18.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.083 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 21.9 m0 -111.85 155.38 23.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.035 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 54.0 tp -85.8 120.14 26.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.671 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.528 HG11 ' HA ' ' A' ' 31' ' ' VAL . 22.2 m -128.66 158.58 40.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.888 0.375 . . . . 0.0 111.601 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -139.52 111.79 7.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.441 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.428 HG23 ' HB ' ' A' ' 29' ' ' VAL . 24.7 p -68.62 152.31 45.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.967 0.413 . . . . 0.0 111.6 -179.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -73.59 120.56 81.79 Favored Pre-proline 0 CA--C 1.531 0.232 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.758 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -62.84 153.14 74.82 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.367 2.045 . . . . 0.0 112.426 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.546 ' HG1' ' H ' ' A' ' 49' ' ' SER . 54.8 p -83.06 -161.81 0.54 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.872 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -95.49 14.35 23.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.259 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.546 ' H ' ' HG1' ' A' ' 47' ' ' THR . 83.0 p -159.99 3.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.114 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 39.5 t -131.41 128.02 21.84 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.314 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -61.69 159.39 32.93 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.846 2.364 . . . . 0.0 112.26 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.1 t -66.78 150.41 49.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.164 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -130.24 116.14 17.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.889 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -104.25 127.7 51.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.796 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -151.34 163.09 29.77 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.621 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.551 ' HB2' HH21 ' A' ' 39' ' ' ARG . 47.0 m95 -86.94 125.93 34.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.738 0.304 . . . . 0.0 110.438 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 33.1 m -122.87 167.68 16.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.407 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 57.0 m -97.83 118.46 63.94 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.826 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -68.88 -4.24 13.0 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.365 2.043 . . . . 0.0 112.638 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.53 -8.42 51.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.247 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -126.72 8.92 6.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.688 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.2 mp -106.68 142.93 35.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.225 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -114.64 149.11 37.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.847 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -80.73 123.01 27.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.503 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -143.43 130.1 20.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.947 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.47 ' N ' HD22 ' A' ' 66' ' ' LEU . 1.4 pt? -131.29 110.87 11.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.03 0.443 . . . . 0.0 110.878 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -144.34 141.21 29.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.924 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.403 ' N ' HD13 ' A' ' 68' ' ' LEU . 6.8 mp . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.284 -0.865 . . . . 0.0 110.789 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 45.7 mm . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.696 0.284 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.473 ' HB3' ' HB2' ' A' ' 30' ' ' GLU . 66.8 m-85 62.13 169.85 0.12 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.953 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -122.39 100.69 7.07 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.333 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.627 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 65.7 mt -84.38 111.67 20.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.999 179.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -94.82 127.88 41.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.8 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.0 p -85.75 132.24 32.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.108 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 47.3 t -83.72 119.56 33.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.667 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.8 t -135.05 23.38 3.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.371 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -130.52 2.35 4.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.069 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.6 t70 61.81 109.32 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.987 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -118.59 91.4 3.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.936 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.8 tp -117.31 118.15 35.91 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -59.03 150.22 74.43 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.379 2.053 . . . . 0.0 112.447 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.438 HD13 ' N ' ' A' ' 14' ' ' LEU . 4.9 mp -104.79 96.41 6.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.773 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.73 -137.95 13.64 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.546 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -118.89 106.58 12.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.871 0.367 . . . . 0.0 111.027 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -116.61 147.75 41.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.951 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -87.82 148.6 24.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 58.87 23.39 11.3 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.069 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -112.55 130.11 56.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.225 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 16.3 tt -103.59 143.82 15.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.2 p -86.79 118.74 26.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.106 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.0 mt -118.43 159.57 23.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.978 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.5 mmm180 -125.57 145.36 50.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.74 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -62.49 98.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.833 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 129.01 14.79 2.19 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.379 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -101.12 152.76 20.23 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 120.928 0.394 . . . . 0.0 111.209 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -112.11 136.28 51.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.286 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.419 ' N ' HG22 ' A' ' 4' ' ' ILE . 3.6 p -158.99 124.53 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.851 0.358 . . . . 0.0 111.891 -179.65 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.627 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 0.4 OUTLIER -76.52 153.75 35.19 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.057 179.007 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.46 ' HA ' HG11 ' A' ' 42' ' ' VAL . 13.1 p -95.4 142.06 14.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.139 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 90.8 mt -102.94 -68.61 0.83 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.777 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.45 ' HB3' ' HB3' ' A' ' 41' ' ' LEU . 29.6 t70 -97.23 146.06 25.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.784 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -123.49 7.95 8.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.368 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.48 138.22 58.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.031 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 60.92 101.3 0.04 OUTLIER Pre-proline 0 CA--C 1.531 0.245 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.018 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.431 ' HA ' ' HE1' ' A' ' 40' ' ' TRP . 74.4 Cg_exo -52.34 -22.35 15.67 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.8 2.333 . . . . 0.0 112.773 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -49.67 -57.05 7.96 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.066 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -147.59 140.25 24.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.739 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.431 ' HE1' ' HA ' ' A' ' 37' ' ' PRO . 54.0 m0 -115.36 151.04 35.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.143 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.493 HD13 ' HB3' ' A' ' 54' ' ' GLN . 54.6 tp -84.66 138.72 32.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.458 179.398 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.46 HG11 ' HA ' ' A' ' 31' ' ' VAL . 32.4 m -139.76 155.79 25.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.964 0.412 . . . . 0.0 111.446 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -132.74 111.9 11.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.238 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.1 p -67.68 143.99 55.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.902 0.382 . . . . 0.0 111.146 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -63.82 119.63 56.36 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.718 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -70.39 148.51 61.13 Favored 'Trans proline' 0 C--N 1.35 0.605 0 C-N-CA 122.294 1.996 . . . . 0.0 112.422 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.465 ' HG1' ' H ' ' A' ' 49' ' ' SER . 69.8 p -112.53 -162.81 0.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.016 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.633 ' HB2' ' HZ3' ' A' ' 48' ' ' LYS . 4.8 ttmp? -75.07 -10.46 59.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.193 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.465 ' H ' ' HG1' ' A' ' 47' ' ' THR . 33.3 t -140.43 6.29 2.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.614 -179.572 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 45.2 t -120.93 111.89 33.89 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.086 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -68.13 158.97 55.12 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.697 2.265 . . . . 0.0 112.227 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 77.0 p -67.71 112.62 4.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.6 tpt180 -111.11 155.56 22.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.784 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.493 ' HB3' HD13 ' A' ' 41' ' ' LEU . 23.2 mt-30 -136.25 130.89 33.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.777 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -151.17 163.04 29.7 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.75 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -90.7 140.71 29.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.749 0.309 . . . . 0.0 110.741 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.0 m -138.82 170.89 15.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.384 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.6 m -99.59 113.94 65.28 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.568 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -67.59 -5.68 14.79 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.334 2.023 . . . . 0.0 112.47 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.16 -17.44 63.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.119 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -118.54 12.82 13.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.9 mp -103.1 135.94 43.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.187 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -108.61 118.78 37.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.721 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.636 ' H ' ' HD3' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -62.68 120.59 11.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.362 -179.697 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 23.4 ttt180 -143.42 140.89 30.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.725 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 33.4 tp -118.08 114.42 23.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.034 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.613 ' HB2' ' HZ3' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -91.62 -23.19 19.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.771 179.818 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 82.8 mt . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.293 -0.861 . . . . 0.0 110.769 179.971 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 64.6 mt . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 120.883 0.373 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.479 ' HB3' ' HB2' ' A' ' 30' ' ' GLU . 31.0 m-85 -60.79 161.55 7.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -121.75 111.97 17.81 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.825 0.345 . . . . 0.0 111.115 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.62 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 40.3 mt -84.26 136.65 22.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.294 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -112.89 145.44 40.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.626 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.9 p -107.31 128.93 61.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.989 0.423 . . . . 0.0 110.92 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 40.0 t -78.31 107.39 10.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.805 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 79.5 p -113.85 16.69 18.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.288 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -137.74 10.6 2.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.364 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.3 t70 63.65 158.88 0.08 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.149 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -157.91 88.5 0.97 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.824 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.424 HD11 ' HD2' ' A' ' 13' ' ' PRO . 47.8 tp -106.71 123.45 38.58 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.424 ' HD2' HD11 ' A' ' 12' ' ' LEU . 40.5 Cg_exo -58.79 148.16 84.78 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 122.368 2.045 . . . . 0.0 112.409 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.8 mt -99.06 95.94 7.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.603 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.91 -95.41 0.72 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.625 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -117.54 112.85 21.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.868 0.366 . . . . 0.0 111.161 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.404 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -82.62 134.61 35.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.113 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -109.56 117.09 33.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 58.96 18.25 6.07 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.983 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.404 ' HB2' ' HB2' ' A' ' 17' ' ' GLU . . . -114.3 165.64 12.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.017 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.6 tt -125.67 135.79 62.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.075 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.7 t -68.62 145.33 54.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.978 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.4 mt -146.28 169.26 19.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.106 0.479 . . . . 0.0 111.355 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.2 mtt180 -133.95 149.95 51.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.335 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -62.75 93.77 0.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.971 0.415 . . . . 0.0 110.625 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 136.21 17.61 0.78 Allowed Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.168 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -101.06 144.59 29.79 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 120.852 0.358 . . . . 0.0 110.808 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.426 ' HB3' HG23 ' A' ' 4' ' ' ILE . 13.3 m-85 -108.75 135.88 49.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.742 -179.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.55 HG23 ' HB ' ' A' ' 42' ' ' VAL . 2.8 p -157.59 123.54 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-O 120.98 0.419 . . . . 0.0 111.924 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.62 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 8.9 pt-20 -77.68 153.92 32.62 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.739 179.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.581 ' HA ' HG11 ' A' ' 42' ' ' VAL . 13.9 p -88.27 144.7 8.63 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.056 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 90.3 mt -112.76 -71.24 0.76 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.483 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -57.27 -75.14 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.64 -179.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.94 91.16 0.07 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.038 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -140.4 -70.63 0.38 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.287 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.479 ' ND1' ' HG ' ' A' ' 38' ' ' LEU . 2.2 t-80 -107.88 134.06 20.23 Favored Pre-proline 0 CA--C 1.531 0.23 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.813 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.416 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 88.8 Cg_exo -51.15 -21.16 8.79 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.769 2.313 . . . . 0.0 112.64 -179.639 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.479 ' HG ' ' ND1' ' A' ' 36' ' ' HIS . 60.6 mt -51.58 -69.43 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.353 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -147.71 132.9 18.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.176 -179.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 26.6 m0 -115.42 150.74 35.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.273 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 34.6 tp -87.23 117.64 26.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.037 179.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.581 HG11 ' HA ' ' A' ' 31' ' ' VAL . 18.0 m -126.17 150.36 31.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.839 0.352 . . . . 0.0 111.805 -179.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.417 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 15.6 ttm180 -124.75 113.7 18.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.621 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.9 p -62.49 142.09 58.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.849 0.357 . . . . 0.0 111.194 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -72.68 130.56 85.36 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.139 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -75.08 165.59 30.88 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.427 2.085 . . . . 0.0 112.09 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.0 t -151.15 135.48 16.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.307 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt 64.52 -80.82 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.404 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.7 t -150.24 19.0 0.86 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.03 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 47.7 t -82.24 122.34 79.26 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.942 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo -59.81 141.06 96.05 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.593 2.195 . . . . 0.0 112.103 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.7 p -75.91 127.23 32.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.962 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 -121.18 132.35 54.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.698 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.417 ' HB3' ' HB2' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -116.88 134.4 54.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.473 -179.727 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -150.11 154.9 25.95 Favored Glycine 0 N--CA 1.451 -0.331 0 CA-C-N 115.848 -0.614 . . . . 0.0 112.317 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 65.1 m95 -75.56 123.0 24.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.729 0.3 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 28.4 m -122.76 164.53 19.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.171 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.1 p -88.5 110.62 38.09 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.43 -7.77 21.84 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.498 2.132 . . . . 0.0 112.839 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.82 -14.1 62.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.097 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -116.38 11.75 15.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.716 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.0 mp -110.67 149.96 29.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.197 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -117.1 144.39 44.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.435 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.555 ' H ' ' HD3' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -64.0 132.55 50.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.908 0.385 . . . . 0.0 111.071 -179.803 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -143.3 105.88 4.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.816 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.44 ' N ' HD13 ' A' ' 66' ' ' LEU . 6.7 mp -104.76 139.72 39.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.9 tptp 63.9 147.67 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.095 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 52.1 tp . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.928 -179.761 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 42.6 pt . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 120.683 0.277 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 59.06 99.3 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.018 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.429 ' O ' ' HA ' ' A' ' 30' ' ' GLU . 10.7 m-20 -90.28 100.92 13.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.249 -179.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.531 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 46.4 mt -85.01 114.73 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.391 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -100.39 130.43 46.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.753 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.1 p -86.04 139.06 17.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.026 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 43.9 t -93.14 113.66 28.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.975 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 67.2 p -116.21 12.05 15.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.009 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -121.83 2.76 10.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.975 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.8 t70 72.18 -63.88 0.41 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.434 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 47.8 t80 63.74 78.11 0.3 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.98 0.419 . . . . 0.0 110.606 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 55.9 tp -106.84 108.11 61.44 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.029 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo -62.56 150.0 89.12 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.373 2.049 . . . . 0.0 112.157 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.8 mt -112.89 96.42 5.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.557 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.83 -159.93 18.08 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.275 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.15 99.44 11.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.813 0.34 . . . . 0.0 110.959 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -94.87 149.3 21.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.024 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -92.43 139.68 30.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.185 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 56.95 26.77 12.2 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.088 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -117.64 161.29 19.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.127 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 16.3 tt -141.59 142.91 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.0 t -75.17 141.92 43.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.905 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.9 mt -140.1 151.94 45.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.929 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -115.43 139.94 49.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.846 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -58.91 105.66 0.34 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.955 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 120.53 17.53 4.3 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.657 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -101.31 142.99 31.92 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 120.873 0.368 . . . . 0.0 111.09 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.449 ' HB3' HG23 ' A' ' 4' ' ' ILE . 30.4 m-85 -101.56 136.55 41.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.739 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.5 p -158.16 122.9 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.531 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 0.6 OUTLIER -84.11 153.26 23.84 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.5 178.676 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.505 HG22 ' HB2' ' A' ' 34' ' ' ALA . 12.3 p -90.75 144.71 8.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.335 -179.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.402 HD12 ' HB2' ' A' ' 43' ' ' ARG . 70.9 mt -92.17 -79.35 0.39 Allowed 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.89 -179.526 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -80.64 -75.53 0.27 Allowed 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.237 -178.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.505 ' HB2' HG22 ' A' ' 31' ' ' VAL . . . 68.27 111.01 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.935 -179.146 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -159.37 -64.58 0.08 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.195 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -61.59 118.29 36.18 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -53.4 -27.33 39.12 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.625 2.216 . . . . 0.0 112.659 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.422 HD13 ' H ' ' A' ' 38' ' ' LEU . 6.3 mp -65.24 -57.15 9.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.085 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.6 ptt180 -144.11 146.71 32.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.083 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 46.1 m0 -112.55 151.54 29.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.023 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 62.2 tp -82.43 98.95 9.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.797 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 29.8 m -104.18 154.23 6.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.92 0.391 . . . . 0.0 111.066 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.402 ' HB2' HD12 ' A' ' 32' ' ' LEU . 62.2 ttt180 -142.15 111.77 6.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.822 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 58.7 p -62.74 124.83 22.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.027 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.0 pttt -67.2 130.74 93.6 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.704 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -67.34 173.8 8.15 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.246 1.964 . . . . 0.0 112.465 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.6 p -102.89 28.41 6.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.033 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.61 ' HZ2' ' HB3' ' A' ' 48' ' ' LYS . 9.4 mtpm? 60.59 18.46 8.4 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.185 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 84.1 p -163.22 -2.61 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.003 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.0 m -128.03 132.88 24.59 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_endo -55.27 126.07 21.27 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.76 2.307 . . . . 0.0 112.296 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.9 p -68.2 155.09 40.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.047 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 65.5 mtm180 -129.58 121.61 27.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.81 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -107.88 127.54 53.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.0 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -152.03 150.79 22.72 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.376 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 44.4 m95 -82.58 128.65 34.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.685 0.279 . . . . 0.0 110.557 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.8 m -131.39 171.63 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 111.318 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.3 m -87.76 115.35 62.71 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.5 -3.07 12.31 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.312 2.008 . . . . 0.0 112.341 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.31 -13.07 62.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.18 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -118.97 15.01 13.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.975 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.3 mp -104.08 157.79 16.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -128.84 123.04 31.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.798 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 50.3 ttp180 -63.98 118.11 7.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.975 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -141.56 125.5 17.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.545 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 59.0 mt -107.12 124.99 50.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.594 ' HB3' ' HZ3' ' A' ' 67' ' ' LYS . 3.0 mmmp? -119.48 -28.19 5.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.478 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.4 mp . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.323 -0.846 . . . . 0.0 110.744 179.866 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 44.6 pt . . . . . 0 N--CA 1.485 1.287 0 CA-C-O 120.734 0.302 . . . . 0.0 111.286 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -64.35 173.26 2.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.796 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -122.45 111.86 17.35 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.91 0.386 . . . . 0.0 111.836 -179.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.582 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 35.0 mt -85.51 113.4 23.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.707 178.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -94.41 142.86 26.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.645 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.4 p -99.72 140.86 18.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 45.4 t -88.94 109.36 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.984 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 58.9 p -116.44 8.19 14.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.296 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -122.54 16.46 10.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.375 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.4 t70 66.8 -73.92 0.07 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.219 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.9 t80 63.72 87.33 0.11 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.059 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.421 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 45.5 tp -117.27 125.48 28.15 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.493 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 12' ' ' LEU . 23.8 Cg_exo -64.11 143.64 84.85 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.27 1.98 . . . . 0.0 112.513 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.6 mt -116.22 96.49 5.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.688 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.67 -137.21 14.08 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.481 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -119.18 98.05 5.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.833 0.349 . . . . 0.0 111.053 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -98.27 140.85 31.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.047 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -99.76 147.23 25.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.046 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 58.24 18.4 5.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.198 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -109.17 152.46 25.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.119 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.5 tt -124.2 133.67 68.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.067 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.9 t -63.38 148.84 47.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.183 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.579 HD12 HG12 ' A' ' 57' ' ' VAL . 86.6 mt -141.68 159.97 41.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.979 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -134.8 140.33 45.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.636 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -54.27 104.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.54 17.78 3.13 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.598 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.458 ' NE2' ' H ' ' A' ' 28' ' ' TYR . 1.0 OUTLIER -101.59 155.2 18.23 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 120.81 0.338 . . . . 0.0 111.171 -179.859 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.458 ' H ' ' NE2' ' A' ' 27' ' ' GLN . 9.3 m-85 -122.38 140.71 52.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.204 179.647 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.417 HG23 ' HB ' ' A' ' 42' ' ' VAL . 2.4 p -157.98 123.09 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.739 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.582 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 13.2 pt-20 -74.42 153.5 39.19 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.76 178.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.598 ' HA ' HG11 ' A' ' 42' ' ' VAL . 12.4 p -95.72 142.92 12.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.402 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.7 mt -100.26 -76.65 0.55 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.732 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -119.15 163.99 16.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.881 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.48 -84.22 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.064 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 58.14 103.24 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.522 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 31.5 m170 64.36 114.66 0.02 OUTLIER Pre-proline 0 CA--C 1.531 0.216 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.326 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -55.46 -23.79 40.69 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.724 2.283 . . . . 0.0 112.646 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.7 mp -56.88 -56.88 15.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.997 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -137.95 139.88 39.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 44.7 m0 -110.38 152.9 25.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.012 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 59.5 tp -79.41 130.45 35.43 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.899 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.598 HG11 ' HA ' ' A' ' 31' ' ' VAL . 30.5 m -142.76 144.81 23.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.4 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' A' ' 43' ' ' ARG . 15.5 ptm180 -122.05 123.95 42.8 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.557 179.306 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.3 p -66.45 131.52 46.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.346 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.641 ' HB3' ' HZ2' ' A' ' 45' ' ' LYS . 7.9 mtpm? -65.43 114.44 15.62 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.577 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.428 ' HG3' ' HB3' ' A' ' 52' ' ' SER . 74.3 Cg_endo -74.68 -177.8 3.63 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.337 2.025 . . . . 0.0 112.655 -179.631 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.569 ' HG1' ' H ' ' A' ' 49' ' ' SER . 69.4 p -127.29 -160.56 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.552 179.491 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -85.31 7.71 21.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.229 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.569 ' H ' ' HG1' ' A' ' 47' ' ' THR . 69.3 m -158.59 13.35 0.18 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.335 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 52.9 m -121.77 122.18 27.91 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.137 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -62.15 144.95 96.42 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.681 2.254 . . . . 0.0 112.177 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.428 ' HB3' ' HG3' ' A' ' 46' ' ' PRO . 83.3 p -83.26 122.87 28.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.143 -179.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -125.76 132.35 52.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.648 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -119.62 132.55 55.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -148.19 159.18 27.95 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.51 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 54.3 m95 -82.45 128.65 34.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.833 0.349 . . . . 0.0 110.76 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.579 HG12 HD12 ' A' ' 23' ' ' LEU . 24.6 m -128.87 170.44 18.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.254 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.3 m -84.56 110.5 27.66 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.713 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -70.54 -6.76 19.73 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.35 2.033 . . . . 0.0 112.499 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.7 -18.06 62.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.193 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -111.78 10.42 20.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.2 mp -103.4 145.51 29.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.047 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -117.63 118.72 32.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.78 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 -63.48 115.17 4.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -136.0 129.11 31.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.954 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.494 HD21 ' HB3' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -131.19 144.56 51.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.804 179.825 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -102.89 3.39 36.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.494 ' HB3' HD21 ' A' ' 66' ' ' LEU . 58.2 tp . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.934 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 50.9 mt . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.784 0.326 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.481 ' HB3' ' HB2' ' A' ' 30' ' ' GLU . 15.9 m-85 -74.47 139.36 43.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.565 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -113.75 114.29 26.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.186 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.598 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 25.1 mt -84.66 120.1 34.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.062 0.458 . . . . 0.0 111.545 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -97.27 156.06 16.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.35 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.3 p -110.33 132.45 58.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.9 0.381 . . . . 0.0 111.154 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.2 t -90.28 118.09 34.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.896 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.6 p -125.83 24.0 7.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.231 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -129.55 17.36 5.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.104 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 64.94 -78.47 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.264 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.3 t80 62.32 86.21 0.11 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.741 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 97.1 mt -117.68 118.45 35.03 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.078 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.86 136.6 71.1 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.487 2.125 . . . . 0.0 112.318 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.539 ' H ' HD22 ' A' ' 14' ' ' LEU . 0.8 OUTLIER -111.78 97.97 7.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.046 179.837 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 109.96 -119.0 5.27 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.61 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -126.36 109.06 11.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.792 0.33 . . . . 0.0 111.187 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.481 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -96.63 144.15 26.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.989 179.881 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -112.37 138.27 49.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.205 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 56.2 18.52 3.32 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.36 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.481 ' HB2' ' HB2' ' A' ' 17' ' ' GLU . . . -113.37 168.39 9.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.191 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.6 tt -135.43 130.98 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.017 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.2 t -61.37 148.41 41.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.6 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.472 HD12 HG12 ' A' ' 57' ' ' VAL . 96.2 mt -144.2 159.47 42.61 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.683 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 41.8 mtm180 -132.04 153.81 50.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.981 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -63.83 93.19 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.647 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 127.59 21.63 1.58 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.53 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -101.42 147.04 26.81 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 120.83 0.348 . . . . 0.0 110.999 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -113.81 139.77 48.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.51 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.468 HG23 ' HB ' ' A' ' 42' ' ' VAL . 2.9 p -158.73 123.88 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-O 120.999 0.428 . . . . 0.0 112.121 -179.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.598 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 11.3 pt-20 -76.54 153.59 35.3 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.239 179.279 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.599 ' HA ' HG13 ' A' ' 42' ' ' VAL . 14.2 p -91.03 144.85 8.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.63 -179.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.474 HD12 ' HD3' ' A' ' 43' ' ' ARG . 95.3 mt -105.05 -81.98 0.53 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.725 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -70.84 -79.43 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.003 -178.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.531 ' HB1' HG22 ' A' ' 31' ' ' VAL . . . 62.51 18.79 10.72 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.116 -179.46 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -79.43 -16.16 56.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.0 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 43.7 m80 -95.38 119.12 65.92 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.601 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -53.13 -25.19 28.39 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.643 2.229 . . . . 0.0 113.119 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.0 mt -80.22 -88.87 0.07 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.485 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.535 ' HG2' ' HB3' ' A' ' 56' ' ' TRP . 2.7 ttp180 -100.0 147.97 25.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.93 0.395 . . . . 0.0 111.166 -179.582 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 54.8 m0 -113.17 139.74 48.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.072 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.4 tp -83.35 136.91 34.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.15 179.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.599 HG13 ' HA ' ' A' ' 31' ' ' VAL . 27.0 m -142.52 159.37 19.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.91 0.386 . . . . 0.0 111.782 -179.565 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.474 ' HD3' HD12 ' A' ' 32' ' ' LEU . 34.3 ptt180 -137.09 123.72 21.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.107 179.059 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.1 p -72.35 149.35 44.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.887 0.375 . . . . 0.0 111.392 -179.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -76.64 124.72 87.82 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.96 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -78.76 -175.86 2.97 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.427 2.085 . . . . 0.0 112.617 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.413 ' HG1' ' N ' ' A' ' 48' ' ' LYS . 5.5 t -169.86 149.2 3.67 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.125 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.413 ' N ' ' HG1' ' A' ' 47' ' ' THR . 57.0 tttm 57.61 47.07 16.55 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.965 0.412 . . . . 0.0 110.725 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 43.4 t 52.5 71.58 0.46 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 71.2 m -131.01 135.66 27.66 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.917 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -53.79 120.62 8.17 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.75 2.3 . . . . 0.0 112.262 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 77.4 p -69.46 121.33 16.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.963 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -92.12 154.29 18.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.146 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.46 129.11 16.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.755 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -151.2 159.95 28.44 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.587 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.535 ' HB3' ' HG2' ' A' ' 39' ' ' ARG . 90.3 m95 -74.84 135.25 41.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.69 0.281 . . . . 0.0 110.71 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.472 HG12 HD12 ' A' ' 23' ' ' LEU . 34.6 m -135.4 162.39 37.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.378 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 58.5 p -83.44 113.47 46.91 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.69 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.13 -7.99 22.37 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.274 1.982 . . . . 0.0 112.521 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.99 -40.36 87.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.259 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -93.14 13.66 20.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.956 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.8 mp -106.86 143.36 35.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.164 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -124.72 119.43 28.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.534 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.431 ' N ' ' HD3' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -55.14 136.92 47.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.002 -179.809 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 -142.91 127.55 18.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.444 ' N ' HD13 ' A' ' 66' ' ' LEU . 4.9 mp -114.14 135.8 53.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.757 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.575 ' HZ2' ' HB3' ' A' ' 67' ' ' LYS . 6.7 mtpm? 60.26 -177.92 0.1 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.111 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.6 mp . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.162 -0.923 . . . . 0.0 110.825 -179.996 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 47.6 mm . . . . . 0 N--CA 1.485 1.289 0 CA-C-O 120.847 0.355 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -69.84 -174.43 0.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.805 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -122.12 106.61 11.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.857 0.36 . . . . 0.0 111.58 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.622 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 25.3 mt -84.36 115.11 25.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.371 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -94.52 140.35 29.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.372 179.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -101.58 135.91 35.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.128 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 47.5 t -86.75 111.17 21.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.2 p -119.47 17.05 12.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.346 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -127.29 -4.91 6.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.36 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.4 t70 60.82 97.73 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.013 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -98.23 90.26 4.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.837 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 tt -115.69 104.72 52.66 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.606 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -59.37 150.3 75.8 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.556 2.171 . . . . 0.0 112.437 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.414 HD13 ' N ' ' A' ' 14' ' ' LEU . 5.2 mp -119.82 97.39 5.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 120.08 -115.49 2.99 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.625 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -113.92 125.46 54.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.797 0.332 . . . . 0.0 111.023 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -82.32 136.15 35.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.052 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -111.77 98.9 7.72 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.598 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 56.62 22.3 6.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.047 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -111.31 172.08 7.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.219 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.5 tt -132.94 142.51 42.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 52.3 m -73.36 128.41 35.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.214 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.4 mt -129.77 121.9 27.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.761 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.429 ' N ' ' HD3' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -91.73 144.24 25.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.809 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -58.39 105.88 0.33 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.827 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 126.49 11.56 3.68 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.259 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -101.32 151.94 21.29 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 120.873 0.368 . . . . 0.0 110.992 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.519 ' HB2' ' HZ2' ' A' ' 45' ' ' LYS . 39.5 m-85 -116.56 140.25 49.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.422 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.481 HG23 ' HB ' ' A' ' 42' ' ' VAL . 2.2 p -159.36 122.65 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.894 0.378 . . . . 0.0 111.961 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.622 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 10.1 pt-20 -76.52 153.0 35.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.859 178.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.649 ' HA ' HG11 ' A' ' 42' ' ' VAL . 11.6 p -89.06 142.72 12.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.244 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.513 HD23 ' HD2' ' A' ' 43' ' ' ARG . 75.6 mt -98.57 -60.27 1.58 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.227 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -71.65 -75.17 0.13 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.396 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.34 91.05 0.06 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.014 -179.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -160.67 -64.05 0.06 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.213 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 57.5 m80 -92.67 113.4 59.46 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.006 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -48.86 -24.19 6.81 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 122.668 2.245 . . . . 0.0 112.767 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -52.63 -65.93 0.47 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.203 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -148.43 133.99 18.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.117 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 26.4 m0 -116.84 147.28 42.27 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.449 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 49.2 tp -86.41 120.29 27.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.194 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.649 HG11 ' HA ' ' A' ' 31' ' ' VAL . 14.6 m -135.71 150.84 28.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.658 -179.148 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.513 ' HD2' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -133.44 130.09 38.17 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.185 179.071 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.409 HG23 ' HB ' ' A' ' 29' ' ' VAL . 28.6 p -74.72 160.85 30.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.293 -179.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.519 ' HZ2' ' HB2' ' A' ' 28' ' ' TYR . 32.7 mtmm -73.01 133.42 81.8 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.063 -179.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -78.06 156.64 30.26 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.588 2.192 . . . . 0.0 112.684 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 30.3 p -96.89 -154.48 0.45 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.74 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -80.73 -3.19 49.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.491 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 79.4 p -155.78 -10.74 0.11 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.699 -0.228 . . . . 0.0 111.522 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.5 m -92.25 115.3 64.48 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.01 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -64.34 159.25 44.69 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.602 2.201 . . . . 0.0 112.286 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.9 m -76.0 123.92 26.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.063 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 88.2 mtt180 -111.63 136.56 50.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -119.82 129.93 54.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -147.38 143.08 10.84 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.553 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 40.1 m95 -76.85 119.5 20.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.771 0.319 . . . . 0.0 110.877 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 31.6 m -128.13 169.41 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 53.9 m -84.5 112.46 42.16 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.809 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.484 ' HA ' HD21 ' A' ' 62' ' ' LEU . 61.7 Cg_endo -72.62 -1.15 9.89 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.284 1.989 . . . . 0.0 112.466 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.77 -29.72 70.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.102 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -98.24 13.64 30.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.633 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.484 HD21 ' HA ' ' A' ' 59' ' ' PRO . 5.7 mp -105.86 165.68 11.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.114 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -121.96 140.38 52.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.841 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 51.9 ttp180 -80.39 118.51 22.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.289 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 69.6 mtp180 -136.33 149.53 48.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.571 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 91.7 mt -111.6 144.38 40.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.24 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 66.1 mttm 59.72 179.18 0.09 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.014 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 38.8 tp . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.315 -0.85 . . . . 0.0 110.823 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 65.2 mt . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.786 0.327 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 58.9 -169.21 0.13 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -122.2 110.2 15.43 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.85 0.357 . . . . 0.0 111.606 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.62 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 41.8 mt -84.41 135.52 24.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.281 179.625 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -120.35 131.94 55.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.538 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.1 p -93.22 141.48 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.171 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.5 t -94.24 123.52 46.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.785 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 70.8 p -130.1 14.76 5.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.403 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -122.2 3.09 9.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.289 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.8 t70 52.9 68.98 0.75 Allowed 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.785 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -86.21 95.84 9.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.929 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.46 HD13 ' HD2' ' A' ' 13' ' ' PRO . 47.6 tp -109.29 123.23 37.31 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.788 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.46 ' HD2' HD13 ' A' ' 12' ' ' LEU . 45.0 Cg_exo -58.14 147.24 84.54 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.408 2.072 . . . . 0.0 112.292 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.437 HD13 ' N ' ' A' ' 14' ' ' LEU . 4.6 mp -95.98 96.04 8.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.471 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.38 -175.03 42.3 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.34 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.94 105.65 17.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.819 0.342 . . . . 0.0 111.081 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -110.06 149.0 30.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.782 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -79.71 145.01 33.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.039 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 58.77 23.21 10.93 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.0 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -107.91 162.52 13.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.344 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.9 tt -141.07 140.77 32.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.795 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.0 p -84.58 128.72 34.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.365 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.423 HD12 HG12 ' A' ' 57' ' ' VAL . 32.7 mt -109.91 163.99 13.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.993 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -134.08 133.28 40.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.721 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -61.72 101.12 0.17 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.744 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.82 11.17 4.51 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.344 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -101.37 162.01 13.21 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 120.889 0.376 . . . . 0.0 111.206 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.438 ' HB3' HG23 ' A' ' 4' ' ' ILE . 66.0 m-85 -123.6 141.42 52.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.619 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.472 HG23 ' HB ' ' A' ' 42' ' ' VAL . 2.6 p -159.27 123.79 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.041 0.448 . . . . 0.0 112.178 -179.641 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.62 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 9.9 pt-20 -76.56 153.44 35.38 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.722 178.6 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.554 ' HA ' HG13 ' A' ' 42' ' ' VAL . 13.7 p -90.13 144.33 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.107 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.3 mt -105.2 -72.92 0.69 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.961 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.558 ' HB3' ' HB3' ' A' ' 41' ' ' LEU . 18.2 t70 -83.47 -79.57 0.2 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.917 -178.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.521 ' HB2' HG22 ' A' ' 31' ' ' VAL . . . 62.3 102.35 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.708 -179.112 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -125.25 -62.6 1.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.351 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.414 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 45.7 m-70 -96.09 139.95 22.02 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 -179.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 36' ' ' HIS . 50.7 Cg_exo -58.17 -21.06 49.56 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.842 2.361 . . . . 0.0 112.529 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.16 -55.84 29.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.774 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.2 ptt180 -144.6 139.95 28.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.965 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 36.8 m0 -113.91 139.62 49.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.725 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.558 ' HB3' ' HB3' ' A' ' 33' ' ' ASP . 57.2 tp -84.74 126.83 33.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.468 179.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.554 HG13 ' HA ' ' A' ' 31' ' ' VAL . 22.6 m -136.28 164.52 31.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.993 0.425 . . . . 0.0 111.573 -179.662 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -141.98 112.03 6.88 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.267 179.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.3 p -57.89 150.07 21.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.007 0.432 . . . . 0.0 111.65 -179.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.61 ' HZ3' ' HB2' ' A' ' 45' ' ' LYS . 9.0 mtmp? -74.58 136.37 74.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.9 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -81.92 115.11 2.67 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.537 2.158 . . . . 0.0 112.446 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 60.8 p -68.66 99.16 0.97 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.991 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt 64.41 -78.66 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.488 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 63.9 m -133.71 28.74 3.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.827 0.346 . . . . 0.0 111.292 -179.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 32.6 t -84.43 133.99 43.58 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.21 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -55.59 114.86 2.08 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.77 2.313 . . . . 0.0 112.169 179.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.9 t -74.58 129.56 37.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.988 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 -110.57 137.4 48.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.054 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.445 ' HG2' HD12 ' A' ' 41' ' ' LEU . 17.0 tt0 -118.99 126.33 51.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.507 179.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -152.56 163.45 30.34 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.889 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 71.7 m95 -86.08 136.79 33.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.636 0.255 . . . . 0.0 110.409 179.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.423 HG12 HD12 ' A' ' 23' ' ' LEU . 29.4 m -137.67 172.32 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.868 0.366 . . . . 0.0 111.578 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.5 p -92.93 122.53 63.55 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.757 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.78 -10.39 19.95 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.402 2.068 . . . . 0.0 112.71 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.07 -27.04 68.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.333 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -106.32 17.11 23.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.1 mp -111.12 138.65 47.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.11 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -106.71 127.29 53.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.735 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 30.8 ttm180 -62.77 120.5 11.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -139.09 115.31 10.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.587 HD22 ' H ' ' A' ' 66' ' ' LEU . 1.6 pt? -109.4 140.98 42.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -104.07 -176.65 3.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.928 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 58.8 mt . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.69 179.86 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 74.7 mt . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.813 0.34 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.471 ' HB3' ' HB2' ' A' ' 30' ' ' GLU . 32.7 m-85 -69.58 159.78 32.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.688 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -122.28 111.03 16.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.28 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.589 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 35.8 mt -84.64 112.71 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.098 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -94.99 145.2 25.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.007 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.2 p -110.71 135.34 50.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.119 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.0 t -78.73 116.72 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.93 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.7 p -120.79 14.24 11.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.206 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -132.82 3.73 3.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.115 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.7 t70 56.33 90.44 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -89.34 93.24 9.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.948 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tt -104.87 107.15 57.81 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.507 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -58.32 124.22 15.37 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.359 2.039 . . . . 0.0 112.413 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 80.3 mt -77.33 95.23 4.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.907 0.384 . . . . 0.0 110.213 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 100.1 -166.22 19.97 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.837 -0.696 . . . . 0.0 112.442 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.41 104.03 13.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.723 0.297 . . . . 0.0 110.982 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -105.11 144.79 31.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.001 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -72.43 146.02 47.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.952 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 60.42 14.15 4.56 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.203 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -103.43 153.2 20.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.168 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.4 tt -130.29 142.88 42.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.948 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 82.1 p -86.57 135.46 33.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.192 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.6 mt -128.65 158.73 37.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.42 ' N ' ' HD3' ' A' ' 24' ' ' ARG . 0.2 OUTLIER -126.16 144.91 50.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.734 179.815 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -61.65 106.21 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 126.6 12.88 3.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.47 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -101.3 167.54 10.12 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 120.779 0.323 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -129.96 137.34 50.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.838 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.7 p -159.79 123.52 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.79 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.589 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 10.9 pt-20 -76.29 153.61 35.78 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.226 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.618 ' HA ' HG11 ' A' ' 42' ' ' VAL . 10.2 p -90.5 143.91 10.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 71.7 mt -102.12 -78.75 0.53 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -100.58 132.18 46.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.96 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -131.56 123.85 28.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.072 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -153.4 -60.09 0.14 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.089 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -91.73 119.9 68.27 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -53.81 -24.01 29.2 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.704 2.27 . . . . 0.0 112.57 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.2 -62.78 1.52 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.285 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -142.8 143.48 32.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.877 0.37 . . . . 0.0 111.389 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 40.0 m0 -121.27 151.62 39.82 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.893 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 67.4 tp -82.87 118.08 23.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.47 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.618 HG11 ' HA ' ' A' ' 31' ' ' VAL . 22.6 m -133.28 148.96 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 0.0 111.483 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -131.14 123.61 28.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.995 0.426 . . . . 0.0 110.271 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.4 p -70.55 148.55 48.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.338 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.551 ' HB3' ' HZ2' ' A' ' 45' ' ' LYS . 7.3 mtpm? -67.37 114.52 19.45 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.42 ' HG3' ' HB3' ' A' ' 52' ' ' SER . 49.1 Cg_endo -68.66 158.32 58.23 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.382 2.054 . . . . 0.0 112.16 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.1 p -112.86 -170.43 1.67 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.07 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.609 ' HB2' ' HZ3' ' A' ' 48' ' ' LYS . 9.6 mtmp? -75.98 2.93 11.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.055 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 79.5 p -145.21 -4.76 0.7 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.201 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 58.3 m -116.57 118.42 37.1 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.12 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -64.15 159.3 43.71 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.627 2.218 . . . . 0.0 112.093 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.42 ' HB3' ' HG3' ' A' ' 46' ' ' PRO . 86.3 p -75.69 118.62 18.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -118.37 156.66 28.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.633 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -144.87 134.66 23.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.997 0.427 . . . . 0.0 111.324 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -149.52 152.2 24.2 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.058 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 55.6 m95 -73.92 131.85 41.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.841 0.353 . . . . 0.0 110.98 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.0 m -127.56 167.57 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.096 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 63.1 m -98.69 114.09 65.03 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.813 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -68.98 -7.11 19.91 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.327 2.018 . . . . 0.0 112.494 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.86 -4.72 42.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.221 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -124.9 1.55 8.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.738 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.6 mp -110.14 147.3 33.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.206 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -105.08 146.33 29.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.77 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 49.3 ttp180 -79.52 120.95 24.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.16 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 60.7 ttt180 -140.9 111.92 7.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.026 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -131.27 144.65 51.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.726 179.65 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -65.0 120.35 12.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.072 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.453 HD13 ' N ' ' A' ' 68' ' ' LEU . 5.4 mp . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.351 -0.833 . . . . 0.0 110.815 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 74.9 mt . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.843 0.354 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.449 ' HB3' ' HB2' ' A' ' 30' ' ' GLU . 39.4 m-85 -95.63 156.54 16.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.679 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -121.83 113.02 19.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.395 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.586 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 52.1 mt -84.37 110.96 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.787 179.621 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -94.62 144.6 25.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.702 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -104.3 139.17 26.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.258 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 62.3 t -93.41 110.47 23.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.067 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.1 p -117.61 21.37 13.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.059 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -121.8 8.36 9.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.134 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.4 t70 53.65 67.84 0.94 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.723 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -79.64 95.45 5.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.769 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 65.2 tp -113.38 113.78 48.27 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -58.57 150.25 70.42 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.484 2.123 . . . . 0.0 112.516 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.01 95.05 10.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.18 0.514 . . . . 0.0 110.652 179.261 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.87 -122.07 18.43 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.541 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -103.49 108.84 20.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.708 0.289 . . . . 0.0 110.997 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -116.61 121.89 43.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.812 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -66.32 147.56 53.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.023 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 58.12 23.34 10.03 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.13 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -121.18 155.03 35.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.169 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.8 tt -127.63 138.22 55.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.6 t -58.4 135.6 57.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.98 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.9 mt -144.77 156.32 43.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.212 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.4 mtm180 -140.31 154.76 46.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.856 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -63.48 97.33 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.651 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 129.24 19.74 1.51 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.388 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -101.52 147.4 26.43 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 120.751 0.31 . . . . 0.0 110.826 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -117.98 137.63 52.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.686 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.517 HG23 ' HB ' ' A' ' 42' ' ' VAL . 3.1 p -159.2 124.4 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 112.038 -179.296 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.586 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 11.4 pt-20 -74.31 153.52 39.31 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.861 178.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.486 ' HA ' HG13 ' A' ' 42' ' ' VAL . 13.4 p -96.17 135.17 31.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.291 -179.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 80.6 mt -91.38 -67.36 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.842 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -105.68 145.36 31.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.023 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -110.8 16.87 21.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.034 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.06 130.59 47.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.303 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 61.23 104.6 0.03 OUTLIER Pre-proline 0 CA--C 1.532 0.274 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.953 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -54.22 -23.27 29.08 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.737 2.291 . . . . 0.0 112.926 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 56.4 tp -55.24 -55.54 30.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.046 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -139.48 125.97 20.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.973 0.416 . . . . 0.0 111.04 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 44.3 m0 -102.85 144.21 31.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.171 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 64.4 tp -80.27 133.35 35.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.105 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.517 ' HB ' HG23 ' A' ' 29' ' ' VAL . 32.9 m -134.29 161.2 41.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.039 0.447 . . . . 0.0 111.891 -179.323 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.9 ttp180 -140.44 111.68 7.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.388 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 46.8 p -58.21 140.91 52.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.498 -179.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -76.42 125.23 87.82 Favored Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.915 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo -78.94 -171.2 1.18 Allowed 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.361 2.041 . . . . 0.0 112.378 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 47.3 p -130.71 34.49 4.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.864 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.3 tptm 65.79 4.88 3.1 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.833 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 44.3 t -148.67 -22.16 0.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.036 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 47.5 t -92.07 124.33 60.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.031 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.17 123.52 13.84 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.573 2.182 . . . . 0.0 112.242 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 83.3 p -71.14 150.01 45.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -132.43 147.23 52.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.148 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -123.65 129.37 51.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.787 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -151.14 155.14 25.98 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.477 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 55.9 m95 -88.62 121.66 31.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.675 0.274 . . . . 0.0 110.722 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.3 t -123.95 157.75 30.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.166 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.435 ' O ' HD11 ' A' ' 62' ' ' LEU . 51.8 m -79.47 119.97 78.74 Favored Pre-proline 0 CA--C 1.53 0.209 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.773 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -70.16 -15.6 35.64 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.504 2.136 . . . . 0.0 112.203 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.81 -41.67 82.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.985 -179.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -96.47 16.33 18.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.583 -179.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.435 HD11 ' O ' ' A' ' 58' ' ' SER . 6.5 mp -104.65 153.59 21.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.061 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -126.9 121.05 30.68 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.846 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.545 ' H ' ' HD3' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -57.36 142.62 42.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -139.19 114.86 9.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 pp -87.0 144.46 26.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.061 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -126.07 139.01 53.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.124 -0.941 . . . . 0.0 110.773 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 37.5 pt . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.74 0.305 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 56.38 93.21 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.114 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.449 ' O ' ' HA ' ' A' ' 30' ' ' GLU . 10.2 m-20 -91.54 111.65 23.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.008 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.542 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 42.5 mt -84.19 116.58 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.332 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -94.53 144.09 25.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.507 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -104.89 125.93 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.987 0.422 . . . . 0.0 111.027 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.487 ' HB ' ' H ' ' A' ' 26' ' ' GLY . 61.8 t -78.02 124.67 36.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.65 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 60.9 p -117.96 21.11 13.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.297 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.442 ' O ' ' HB2' ' A' ' 10' ' ' ASP . . . -127.93 -71.83 0.64 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.342 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.442 ' HB2' ' O ' ' A' ' 9' ' ' ALA . 18.2 t70 165.74 -64.5 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.217 -179.305 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 38.7 t80 59.92 79.21 0.24 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.322 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.411 HD11 HG21 ' A' ' 22' ' ' THR . 45.0 tp -118.02 123.81 29.23 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.591 179.456 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.38 127.26 23.25 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 122.155 1.903 . . . . 0.0 112.23 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.3 mt -96.77 96.6 8.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.608 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.26 -154.14 16.67 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.253 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -103.03 97.92 7.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.794 0.33 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -125.28 108.17 11.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.418 ' O ' ' HB3' ' A' ' 19' ' ' ASP . 15.9 mm100 -94.98 97.13 9.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.653 179.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.418 ' HB3' ' O ' ' A' ' 18' ' ' GLN . 4.8 p-10 170.18 -35.22 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.031 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -96.7 162.18 13.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.004 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 10.4 tt -110.82 125.1 68.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.411 HG21 HD11 ' A' ' 12' ' ' LEU . 37.7 m -61.44 112.26 2.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.179 -179.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 78.4 mt -110.01 166.14 11.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.962 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -128.04 147.95 50.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.595 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.414 ' HA ' HG13 ' A' ' 7' ' ' VAL . 43.7 tt0 -55.29 96.96 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.487 ' H ' ' HB ' ' A' ' 7' ' ' VAL . . . 116.07 31.59 1.86 Allowed Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.873 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -101.71 144.38 30.49 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 120.736 0.303 . . . . 0.0 111.174 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -103.54 131.04 51.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.615 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.557 HG23 ' HB ' ' A' ' 42' ' ' VAL . 2.6 p -159.51 124.1 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.515 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.542 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 1.4 pm0 -79.95 153.29 29.04 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.283 179.447 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.633 ' HA ' HG11 ' A' ' 42' ' ' VAL . 14.9 p -86.73 144.39 9.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.259 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 82.0 mt -104.86 -68.23 0.87 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.179 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -57.9 -74.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.413 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 58.75 78.92 0.23 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -169.7 -36.75 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.169 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -86.4 112.19 44.46 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.933 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_exo -55.36 -25.07 46.01 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.475 2.117 . . . . 0.0 112.571 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 66.3 mt -67.76 -72.17 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.407 ' HD3' ' HB3' ' A' ' 56' ' ' TRP . 17.7 ptp180 -141.81 148.98 39.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.812 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 20.2 m0 -115.67 146.47 41.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.419 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 23.9 tp -84.29 117.23 23.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.23 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.633 HG11 ' HA ' ' A' ' 31' ' ' VAL . 16.0 m -124.52 151.94 30.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.582 -179.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 -132.75 127.83 35.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.462 179.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.7 p -72.8 154.41 40.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.852 0.358 . . . . 0.0 111.196 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -71.84 140.04 83.42 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.965 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -82.33 126.33 4.81 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.445 2.096 . . . . 0.0 112.392 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.6 t -127.85 139.22 52.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.013 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? 63.67 45.35 4.62 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.792 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.5 t 57.06 27.83 13.96 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.369 179.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 47.6 t -86.14 133.85 40.01 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.149 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -56.58 125.46 19.09 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.877 2.384 . . . . 0.0 112.114 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.7 p -68.67 113.74 6.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.191 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 58.9 mtm180 -91.87 160.7 15.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.684 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -149.65 131.58 15.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.968 0.413 . . . . 0.0 111.12 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -150.62 160.98 28.84 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.503 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.407 ' HB3' ' HD3' ' A' ' 39' ' ' ARG . 75.4 m95 -77.77 134.7 37.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.781 0.324 . . . . 0.0 110.956 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.2 m -132.65 166.2 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.237 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 52.5 m -98.93 113.48 64.6 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.697 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.426 ' HA ' ' HB2' ' A' ' 62' ' ' LEU . 32.9 Cg_endo -64.08 -6.95 12.32 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.351 2.034 . . . . 0.0 112.562 -179.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.61 -15.08 63.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.075 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -124.38 14.41 8.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.426 ' HB2' ' HA ' ' A' ' 59' ' ' PRO . 10.6 mp -113.74 142.99 45.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.092 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -124.09 119.08 28.44 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.804 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 36.1 ptt180 -62.51 139.83 58.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.046 0.451 . . . . 0.0 111.164 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 -144.05 132.95 22.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.852 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.414 HD13 ' N ' ' A' ' 66' ' ' LEU . 6.0 mp -103.81 95.41 6.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.554 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -134.85 125.42 26.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.817 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.474 ' N ' HD22 ' A' ' 68' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.539 -0.743 . . . . 0.0 110.993 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 45.2 pt . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.78 0.324 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.499 ' HB2' ' HB2' ' A' ' 30' ' ' GLU . 57.8 m-85 -120.64 -171.54 2.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.962 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -85.11 102.05 12.94 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.625 -179.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.644 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 17.8 mt -84.64 135.2 25.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.224 179.547 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -110.28 159.7 17.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.575 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.7 p -113.84 131.15 66.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.022 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.58 HG22 ' HG3' ' A' ' 27' ' ' GLN . 2.8 t -77.61 130.7 35.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.5 p -139.55 18.09 2.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.636 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -136.58 -0.9 2.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.692 0.282 . . . . 0.0 111.425 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.1 t70 58.17 92.28 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -93.83 85.93 4.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.016 0.436 . . . . 0.0 110.346 179.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.7 tp -111.46 110.8 55.38 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.774 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -58.58 146.62 90.56 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.177 1.918 . . . . 0.0 112.108 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.566 ' H ' HD22 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -95.92 95.66 8.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.115 0.483 . . . . 0.0 110.519 179.628 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.42 -120.23 5.09 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.541 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -110.41 105.38 14.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.761 0.315 . . . . 0.0 111.22 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.4 ' HB3' ' HB2' ' A' ' 20' ' ' ALA . 8.9 tp10 -99.37 141.27 32.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.659 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -78.17 123.17 26.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.015 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 54.16 62.57 2.52 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.991 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.4 ' HB2' ' HB3' ' A' ' 17' ' ' GLU . . . -142.27 167.6 21.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.214 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 12.3 tt -136.32 133.2 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.878 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 65.5 m -67.98 130.09 41.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.7 mt -134.77 169.24 17.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.268 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.9 mtp180 -134.6 145.76 48.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.952 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -66.69 106.04 1.72 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.535 ' H ' ' HB ' ' A' ' 7' ' ' VAL . . . 129.38 8.75 3.5 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.901 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.58 ' HG3' HG22 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -103.74 166.75 10.23 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.958 0.408 . . . . 0.0 111.065 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.41 ' HB3' ' CG2' ' A' ' 4' ' ' ILE . 24.4 m-85 -120.76 143.2 48.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.662 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.446 HG23 ' HB ' ' A' ' 42' ' ' VAL . 2.7 p -155.87 123.26 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-O 121.005 0.431 . . . . 0.0 111.844 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.644 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 11.9 pt-20 -77.29 153.76 33.59 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.37 179.292 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.62 ' HA ' HG11 ' A' ' 42' ' ' VAL . 13.9 p -94.38 144.35 9.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.045 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.427 HD13 ' HG2' ' A' ' 43' ' ' ARG . 66.9 mt -102.2 -81.4 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.317 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -62.02 -53.39 56.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.321 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 60.73 23.25 13.15 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.612 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -99.57 156.09 17.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.149 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 64.9 108.96 0.03 OUTLIER Pre-proline 0 CA--C 1.531 0.243 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.991 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -52.59 -24.73 23.47 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 122.851 2.367 . . . . 0.0 112.858 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 50.4 tp -54.24 -71.14 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.977 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -140.24 143.58 36.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.791 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 35.2 m0 -110.44 142.95 41.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.488 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 42.4 tp -80.22 123.79 28.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.773 178.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.62 HG11 ' HA ' ' A' ' 31' ' ' VAL . 16.8 m -134.67 155.18 38.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.124 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.509 ' HB3' ' HB3' ' A' ' 54' ' ' GLN . 6.6 ptp180 -130.18 121.86 27.05 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.197 178.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.2 p -65.44 146.58 54.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.948 0.404 . . . . 0.0 111.323 -179.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -71.88 126.07 91.46 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.125 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -75.39 -168.61 0.55 Allowed 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.258 1.972 . . . . 0.0 112.11 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 32.8 p -107.67 -75.37 0.63 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.134 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -170.15 -11.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.056 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 60.2 m -143.29 -7.09 0.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.823 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 41.7 t -96.17 125.47 47.91 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -60.7 127.74 23.54 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.744 2.296 . . . . 0.0 112.184 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.3 p -71.31 134.84 47.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.055 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 31.4 mmm180 -109.81 158.63 17.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.803 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.509 ' HB3' ' HB3' ' A' ' 43' ' ' ARG . 12.3 pt20 -140.83 131.16 25.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.048 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -149.44 158.88 27.84 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.543 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 36.7 m95 -79.97 120.16 23.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.802 0.335 . . . . 0.0 110.67 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.7 m -119.17 171.84 6.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.299 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.7 m -93.18 108.18 30.95 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.787 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.2 -1.89 9.58 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.376 2.051 . . . . 0.0 112.344 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.47 -13.75 62.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.202 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -117.59 -0.68 11.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.058 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.0 mp -102.3 141.37 35.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.226 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -104.87 133.09 50.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.793 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -74.55 115.03 13.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.037 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 27.8 mmm180 -138.29 115.89 11.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.785 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 68.4 tp -130.39 121.45 25.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.041 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -70.86 -28.67 64.75 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.752 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.5 tt . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.642 -179.869 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 32.6 pt . . . . . 0 N--CA 1.485 1.276 0 CA-C-O 120.799 0.333 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.483 ' HB3' ' HB2' ' A' ' 30' ' ' GLU . 3.5 m-85 -130.19 138.17 50.45 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -104.39 106.59 17.14 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.23 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.627 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 63.6 mt -83.96 116.63 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.089 0.471 . . . . 0.0 111.55 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -97.35 126.91 42.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.619 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -91.26 136.03 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.001 0.429 . . . . 0.0 111.352 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 48.6 t -86.93 125.03 40.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.709 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.403 ' HA ' ' HG3' ' A' ' 25' ' ' GLU . 71.8 p -136.71 18.55 3.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.364 -179.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -125.09 8.37 7.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.289 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.422 ' HA ' ' HB2' ' A' ' 25' ' ' GLU . 19.6 t70 56.38 90.24 0.04 OUTLIER 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.786 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -105.58 92.7 4.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mp -117.39 133.46 23.22 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -61.04 134.99 56.11 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.369 2.046 . . . . 0.0 112.266 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.42 ' O ' HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -97.55 96.37 8.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.08 0.467 . . . . 0.0 110.856 179.466 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.13 -107.31 2.68 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.381 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -123.22 102.23 7.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.753 0.311 . . . . 0.0 111.165 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -105.9 153.51 21.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.644 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.0 mp0 -88.78 140.18 29.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.349 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 40.27 39.58 0.69 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.85 179.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -110.25 132.28 54.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.898 0.38 . . . . 0.0 111.197 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.435 ' HB ' ' HA2' ' A' ' 55' ' ' GLY . 14.0 tt -102.47 142.75 16.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.008 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 82.1 p -68.31 112.6 5.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.8 mt -123.84 148.63 46.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.017 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -119.65 147.07 44.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.701 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.422 ' HB2' ' HA ' ' A' ' 10' ' ' ASP . 41.8 tt0 -63.03 104.09 0.53 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.057 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 126.67 17.15 2.38 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.411 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -101.22 168.01 9.84 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 120.843 0.354 . . . . 0.0 111.209 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.44 ' HB3' HG23 ' A' ' 4' ' ' ILE . 44.8 m-85 -130.43 138.76 50.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.844 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.48 HG23 ' HB ' ' A' ' 42' ' ' VAL . 3.3 p -159.18 123.71 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-O 120.939 0.4 . . . . 0.0 112.029 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.627 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 12.0 pt-20 -74.6 153.9 38.8 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.272 179.166 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.607 ' HA ' HG11 ' A' ' 42' ' ' VAL . 13.6 p -92.47 144.93 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.095 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.434 HD13 ' HG2' ' A' ' 43' ' ' ARG . 47.1 mt -108.55 -79.25 0.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.77 -179.298 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -64.38 -72.54 0.14 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.89 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.414 ' HB1' HG22 ' A' ' 31' ' ' VAL . . . 63.19 92.74 0.06 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.376 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -150.65 -73.13 0.16 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.305 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -61.84 116.44 21.18 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.677 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -50.05 -27.24 16.32 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.815 2.344 . . . . 0.0 112.907 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 45.1 tp -61.16 -62.13 2.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.258 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -145.68 153.79 41.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.981 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 39.8 m0 -120.68 149.43 42.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.3 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 36.0 tp -80.77 118.84 22.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.364 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.607 HG11 ' HA ' ' A' ' 31' ' ' VAL . 9.8 m -135.49 143.07 37.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.53 -179.515 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.434 ' HG2' HD13 ' A' ' 32' ' ' LEU . 4.5 ptp180 -118.45 125.34 49.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.187 179.362 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 57.5 p -67.45 135.08 52.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.866 0.365 . . . . 0.0 111.114 -179.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -62.89 140.18 97.41 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.75 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -88.74 119.6 1.07 Allowed 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 122.715 2.276 . . . . 0.0 112.448 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.7 t -93.85 136.37 34.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.916 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.3 tptp 62.63 -81.6 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.124 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 52.1 m -156.38 26.81 0.35 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.928 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 77.6 p -80.57 133.63 55.71 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.95 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -54.67 139.35 76.7 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.887 2.391 . . . . 0.0 112.207 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.3 p -93.48 132.97 37.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.097 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -126.21 156.61 39.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.844 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -127.79 128.75 45.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.273 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.435 ' HA2' ' HB ' ' A' ' 21' ' ' ILE . . . -140.68 145.32 16.0 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 121.032 -0.604 . . . . 0.0 112.238 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 61.5 m95 -75.15 118.22 17.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.772 0.32 . . . . 0.0 110.796 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.522 HG13 ' H ' ' A' ' 58' ' ' SER . 1.9 t -112.38 168.94 4.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -179.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.522 ' H ' HG13 ' A' ' 57' ' ' VAL . 49.9 m -96.91 104.25 17.91 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.736 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -63.86 -7.62 13.63 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.392 2.061 . . . . 0.0 112.538 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.37 -1.9 25.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.997 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -132.24 13.7 4.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.981 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.423 ' HA ' HD12 ' A' ' 62' ' ' LEU . 2.3 mm? -100.85 179.36 4.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.154 0.502 . . . . 0.0 111.661 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -145.66 144.51 30.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.236 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -70.89 125.67 27.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.974 0.416 . . . . 0.0 111.196 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -141.23 114.96 9.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.377 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.414 HD12 ' N ' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -105.32 131.44 52.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.207 -179.52 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.414 ' N ' HD12 ' A' ' 66' ' ' LEU . 5.1 mptp? -101.25 78.51 1.9 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.635 179.452 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 48.5 tp . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.274 -0.869 . . . . 0.0 110.791 -179.881 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.647 0.26 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -122.32 110.23 15.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.864 0.364 . . . . 0.0 111.623 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.564 HG12 ' HB3' ' A' ' 30' ' ' GLU . 42.9 mt -85.41 114.46 25.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.108 179.436 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -97.77 158.82 15.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.695 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -124.63 141.29 45.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.47 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.8 t -85.87 108.72 17.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.821 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.7 p -109.67 17.56 21.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.479 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -141.89 12.27 2.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.395 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.2 t70 63.78 152.91 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.962 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -151.0 93.6 1.95 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.888 0.375 . . . . 0.0 110.972 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.548 HD21 HH11 ' A' ' 24' ' ' ARG . 95.0 mt -116.27 109.31 44.49 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.913 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -57.89 120.12 7.81 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.423 2.082 . . . . 0.0 112.45 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 83.8 mt -87.6 96.6 10.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.634 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.17 -138.72 14.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.422 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -118.12 108.94 15.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.779 0.323 . . . . 0.0 111.163 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -108.92 126.41 53.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.624 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -82.5 142.07 32.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.962 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 61.34 24.22 14.36 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.09 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -112.75 158.79 19.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.271 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.452 ' HB ' ' HA3' ' A' ' 55' ' ' GLY . 17.4 tt -130.47 144.65 37.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.873 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 78.2 p -77.95 149.98 34.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.022 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.496 HD11 HG11 ' A' ' 57' ' ' VAL . 55.8 mt -145.77 152.63 39.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.237 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.548 HH11 HD21 ' A' ' 12' ' ' LEU . 29.0 mmm180 -119.24 138.96 52.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.654 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -57.22 99.83 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 126.21 20.82 1.95 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.243 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -101.02 161.35 13.66 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 120.76 0.314 . . . . 0.0 111.028 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -122.74 135.06 54.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.736 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.422 HG23 ' HA ' ' A' ' 44' ' ' THR . 3.0 p -159.54 123.49 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.975 0.417 . . . . 0.0 111.954 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.564 ' HB3' HG12 ' A' ' 4' ' ' ILE . 10.0 pt-20 -78.85 153.24 30.76 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.983 179.118 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.504 ' HA ' HG12 ' A' ' 42' ' ' VAL . 14.1 p -90.21 135.75 25.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.917 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 83.7 mt -85.7 -66.55 0.89 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.111 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -138.75 151.66 47.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.042 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -102.58 108.3 19.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.016 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -92.19 -77.91 0.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.297 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -113.39 145.17 32.72 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.972 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -56.68 -21.7 40.58 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.69 2.26 . . . . 0.0 112.259 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.456 ' N ' HD12 ' A' ' 38' ' ' LEU . 6.7 mp -68.86 -49.53 57.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.953 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.541 ' HE ' ' HB3' ' A' ' 56' ' ' TRP . 12.5 ptm180 -147.11 132.25 18.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 25.0 m0 -103.64 155.85 18.25 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.236 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 38.1 tp -79.4 126.24 30.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.636 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.504 HG12 ' HA ' ' A' ' 31' ' ' VAL . 29.5 m -138.49 154.32 27.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.314 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -141.57 116.97 10.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.77 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.422 ' HA ' HG23 ' A' ' 29' ' ' VAL . 65.1 p -58.79 154.69 14.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.196 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -91.61 132.11 34.21 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.973 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo . . . . . 0 C--N 1.349 0.584 0 C-N-CA 122.313 2.009 . . . . 0.0 112.204 179.847 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo . . . . . 0 C--O 1.232 0.188 0 CA-C-O 120.783 0.243 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 77.8 p -82.1 126.08 31.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.996 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -109.65 148.1 31.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -123.58 127.14 47.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.128 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.452 ' HA3' ' HB ' ' A' ' 21' ' ' ILE . . . -151.76 151.76 23.62 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.325 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.541 ' HB3' ' HE ' ' A' ' 39' ' ' ARG . 78.0 m95 -77.42 135.79 38.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.634 0.255 . . . . 0.0 110.539 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.496 HG11 HD11 ' A' ' 23' ' ' LEU . 26.6 m -131.23 166.05 29.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.28 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 52.9 m -92.28 119.85 67.93 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.51 -3.67 13.87 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.415 2.077 . . . . 0.0 112.643 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.42 -5.03 42.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.105 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -128.04 6.8 6.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.6 mp -109.25 131.51 55.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.901 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -109.08 146.41 34.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.799 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 -62.39 126.81 28.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.843 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -142.25 136.75 30.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.815 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.6 pp . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.232 -179.832 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.502 ' HB3' ' HB2' ' A' ' 30' ' ' GLU . 86.0 m-85 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.702 0.287 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -122.27 111.35 16.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.863 0.363 . . . . 0.0 111.447 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.638 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 45.6 mt -84.51 136.55 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -114.54 160.12 19.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.664 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.69 135.35 63.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.391 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.0 t -87.56 125.94 41.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.763 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.7 p -129.93 18.48 5.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.273 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -135.43 8.06 3.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.323 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.5 t70 57.14 90.34 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.755 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -103.54 98.55 8.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.027 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 pp -117.1 142.39 29.93 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.726 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.484 ' HD3' ' HA ' ' A' ' 22' ' ' THR . 39.8 Cg_exo -58.85 120.35 8.18 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.44 2.094 . . . . 0.0 112.404 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 86.3 mt -81.64 95.88 7.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.238 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 86.67 -122.3 6.07 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.173 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -127.24 102.33 6.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.815 0.341 . . . . 0.0 111.137 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -109.83 153.07 24.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -95.56 144.94 25.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.02 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 58.96 21.25 9.03 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.09 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -108.34 148.6 29.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.183 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.49 ' HB ' ' HA3' ' A' ' 55' ' ' GLY . 17.8 tt -121.94 147.72 25.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.835 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.484 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 45.6 m -83.79 115.67 22.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.378 -179.635 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 76.0 mt -110.03 154.89 22.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.721 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -118.68 143.62 46.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.688 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -61.38 101.89 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.771 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 120.0 17.62 4.51 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.332 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -101.33 144.02 30.67 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 120.784 0.326 . . . . 0.0 111.01 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.406 ' HB3' HG21 ' A' ' 4' ' ' ILE . 56.3 m-85 -108.89 139.31 43.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.682 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.484 HG23 ' C ' ' A' ' 43' ' ' ARG . 2.1 p -159.2 123.52 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.464 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.638 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 11.0 pt-20 -75.5 153.48 37.49 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.94 178.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.469 ' HA ' HG12 ' A' ' 42' ' ' VAL . 14.5 p -92.43 142.61 12.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.252 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 71.2 mt -106.08 -70.44 0.79 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.884 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -115.1 166.57 11.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -110.36 -61.61 1.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.941 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 59.76 -87.11 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.409 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -87.75 119.56 70.63 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.595 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -51.08 -28.44 24.96 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.714 2.276 . . . . 0.0 112.664 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.3 tt -72.53 -63.57 1.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.741 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -113.09 130.02 56.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 30.7 m0 -105.76 154.86 19.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.223 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 64.1 tp -80.33 130.95 35.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.426 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.469 HG12 ' HA ' ' A' ' 31' ' ' VAL . 27.1 m -135.01 155.42 38.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.922 0.391 . . . . 0.0 111.402 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.484 ' C ' HG23 ' A' ' 29' ' ' VAL . 42.3 ttp180 -136.97 111.73 8.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.63 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 65.2 p -53.54 121.98 8.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.338 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -64.94 116.93 34.08 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.689 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo . . . . . 0 C--N 1.349 0.553 0 C-N-CA 122.47 2.114 . . . . 0.0 112.767 -179.672 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.692 0.205 . . . . 0.0 112.323 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.4 t -85.61 142.83 28.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.782 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -134.58 157.03 47.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.948 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -127.12 131.72 50.74 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.49 ' HA3' ' HB ' ' A' ' 21' ' ' ILE . . . -151.27 162.39 29.49 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.65 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 52.4 m95 -104.31 115.34 30.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.745 0.307 . . . . 0.0 110.711 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.5 m -130.45 166.76 27.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.253 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.1 m -84.54 115.12 59.08 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.02 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.41 ' HA ' HD22 ' A' ' 62' ' ' LEU . 58.5 Cg_endo -71.12 -2.44 11.12 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.385 2.057 . . . . 0.0 112.439 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.68 -37.87 85.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.041 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -90.89 8.0 37.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.721 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' A' ' 59' ' ' PRO . 4.9 mp -100.97 167.63 10.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.084 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -133.75 137.13 45.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.752 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 65.4 mtm180 -65.61 133.98 52.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.258 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 63.6 ttt-85 -137.4 126.83 24.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.664 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 98.7 mt . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.017 179.939 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.735 0.302 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -118.17 102.92 9.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.391 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.638 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 37.5 mt -84.53 133.04 30.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.002 179.658 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -111.48 156.34 21.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.935 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.6 p -119.49 128.1 75.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.033 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.9 t -80.23 113.64 19.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.438 ' HA ' ' HG3' ' A' ' 25' ' ' GLU . 41.4 p -128.21 32.73 4.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.415 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -149.52 3.89 0.58 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.634 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 61.58 111.86 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.102 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -127.9 102.99 7.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.087 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 29.8 tp -117.26 122.25 31.33 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.808 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 12' ' ' LEU . 31.4 Cg_exo -59.4 138.6 85.23 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.381 2.054 . . . . 0.0 112.264 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.0 mt -106.63 96.6 6.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.698 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.35 -139.12 14.71 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.516 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -122.02 109.53 14.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.782 0.325 . . . . 0.0 111.093 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -112.23 115.3 28.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -76.22 148.38 37.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 57.91 20.16 6.45 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.314 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -105.64 170.59 7.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.821 0.343 . . . . 0.0 111.053 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 17.2 tt -137.5 137.36 45.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.948 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.1 t -71.56 147.17 47.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.067 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.47 HD11 HG11 ' A' ' 57' ' ' VAL . 96.0 mt -132.0 156.15 46.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.009 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 -137.35 139.98 41.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.732 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.438 ' HG3' ' HA ' ' A' ' 8' ' ' THR . 38.9 tt0 -59.04 103.98 0.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.08 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 127.32 4.7 5.8 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.698 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -101.45 155.59 17.97 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 120.866 0.365 . . . . 0.0 111.154 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -118.43 140.58 49.64 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.535 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.466 HG23 ' HA ' ' A' ' 44' ' ' THR . 2.4 p -159.04 123.89 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -179.496 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.638 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 9.5 pt-20 -74.96 153.23 38.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.054 178.755 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.523 ' HA ' HG12 ' A' ' 42' ' ' VAL . 14.8 p -94.94 144.66 9.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.219 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 93.1 mt -104.98 -71.42 0.74 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.529 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -60.72 -77.97 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.791 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.52 87.34 0.1 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.996 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -143.04 -73.86 0.28 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.326 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 71.6 m80 -84.25 125.02 73.29 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -51.79 -23.01 14.81 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.669 2.246 . . . . 0.0 112.56 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.27 -66.62 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.426 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.517 HH21 ' HB2' ' A' ' 56' ' ' TRP . 10.8 ptm180 -145.15 144.15 30.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.292 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 50.8 m0 -122.23 154.36 37.62 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.313 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 37.7 tp -92.07 102.1 14.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.133 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.523 HG12 ' HA ' ' A' ' 31' ' ' VAL . 33.2 m -107.43 151.51 9.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.488 -179.464 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.482 ' HE ' ' HG2' ' A' ' 54' ' ' GLN . 39.0 ttm180 -129.0 114.64 16.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.494 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.466 ' HA ' HG23 ' A' ' 29' ' ' VAL . 80.4 p -54.86 127.73 29.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.879 0.371 . . . . 0.0 111.233 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.464 ' NZ ' ' HB2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -74.55 122.06 86.65 Favored Pre-proline 0 CA--C 1.532 0.282 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.997 -179.801 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo . . . . . 0 C--N 1.349 0.586 0 C-N-CA 122.484 2.122 . . . . 0.0 112.448 179.932 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo . . . . . 0 C--O 1.232 0.223 0 CA-C-O 120.825 0.261 . . . . 0.0 112.186 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.3 p -84.27 117.96 23.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.096 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -126.34 151.06 48.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.555 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.482 ' HG2' ' HE ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -115.66 131.1 57.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.056 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -150.97 150.96 23.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.52 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.517 ' HB2' HH21 ' A' ' 39' ' ' ARG . 88.2 m95 -76.62 121.86 23.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.827 0.346 . . . . 0.0 110.904 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.47 HG11 HD11 ' A' ' 23' ' ' LEU . 30.9 m -131.27 171.81 17.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.206 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.0 p -95.78 118.22 66.04 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.829 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -73.23 -6.73 19.4 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.283 1.989 . . . . 0.0 112.312 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.88 -32.99 74.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.2 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -93.74 9.84 35.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.939 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.8 mp -113.56 148.04 36.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -111.21 133.61 53.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.725 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -60.06 130.79 48.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.935 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -136.85 107.14 6.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.736 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 88.4 mt . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.016 -179.845 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.524 ' HB2' ' HB2' ' A' ' 30' ' ' GLU . 59.2 m-85 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.601 0.239 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -98.15 107.13 19.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.797 0.332 . . . . 0.0 111.745 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.64 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 44.4 mt -85.24 117.67 30.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.371 179.581 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -95.35 126.02 40.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.633 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -85.16 133.62 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.024 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.5 t -85.03 123.98 39.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.955 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.4 p -129.39 14.64 6.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.057 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -130.77 13.24 5.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.28 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.7 t70 68.74 -70.59 0.13 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.349 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 56.5 t80 65.55 84.75 0.15 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.034 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.87 107.57 43.97 Favored Pre-proline 0 CA--C 1.532 0.255 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.628 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -59.32 138.03 82.08 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.351 2.034 . . . . 0.0 112.351 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.0 mt -98.71 96.53 7.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.477 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.48 -168.79 14.89 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.246 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.36 103.21 15.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.718 0.294 . . . . 0.0 111.017 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -99.81 149.05 23.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.856 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -75.8 146.09 40.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.1 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.1 p30 43.51 30.8 0.37 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.493 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -101.23 167.04 10.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 16.8 tt -143.9 142.53 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.951 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 73.4 p -88.64 143.46 26.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.176 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.474 HD11 HG11 ' A' ' 57' ' ' VAL . 97.0 mt -135.7 168.68 18.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -134.36 142.11 47.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.748 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -60.3 103.77 0.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.568 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.84 13.98 3.56 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.229 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -100.96 155.29 18.05 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.951 0.405 . . . . 0.0 111.144 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -123.24 138.39 54.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.276 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.449 HG23 ' HA ' ' A' ' 44' ' ' THR . 2.4 p -154.81 123.7 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.64 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 10.3 pt-20 -75.54 153.66 37.3 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.715 178.518 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.484 ' HA ' HG12 ' A' ' 42' ' ' VAL . 7.1 p -92.9 134.8 29.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.275 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.501 HD11 ' HB2' ' A' ' 43' ' ' ARG . 68.4 mt -85.01 -67.84 0.77 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.678 179.524 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -112.21 156.97 21.47 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.069 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -153.46 117.52 4.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.086 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -157.34 -18.47 0.09 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.303 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 -117.55 113.13 38.65 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.087 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -53.67 -23.86 27.6 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.646 2.231 . . . . 0.0 112.416 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 tt -60.04 -69.44 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.723 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -144.31 127.15 16.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 12.6 m0 -94.99 153.05 17.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.2 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 59.4 tp -80.94 122.83 27.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.454 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.484 HG12 ' HA ' ' A' ' 31' ' ' VAL . 33.7 m -126.09 162.77 29.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 121.073 0.463 . . . . 0.0 111.898 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.501 ' HB2' HD11 ' A' ' 32' ' ' LEU . 29.0 ttt180 -142.41 111.7 6.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.528 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.449 ' HA ' HG23 ' A' ' 29' ' ' VAL . 30.5 p -58.42 148.04 29.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.301 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.43 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 58.3 mtpt -84.59 143.09 40.6 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.745 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 45' ' ' LYS . 58.8 Cg_endo . . . . . 0 N--CA 1.454 -0.796 0 C-N-CA 122.803 2.335 . . . . 0.0 112.67 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo . . . . . 0 C--O 1.231 0.149 0 CA-C-O 120.854 0.272 . . . . 0.0 112.228 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.8 m -79.19 149.12 32.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 30.8 tpt180 -128.0 139.65 52.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.73 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -112.16 127.1 55.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.156 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -152.32 163.13 30.15 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.254 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 80.1 m95 -89.79 128.19 36.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.707 0.289 . . . . 0.0 110.588 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.474 HG11 HD11 ' A' ' 23' ' ' LEU . 35.3 m -121.72 163.57 19.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.425 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 59.8 m -94.78 117.19 66.94 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.833 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.474 ' HA ' ' HB2' ' A' ' 62' ' ' LEU . 40.2 Cg_endo -67.5 -10.24 28.05 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.458 2.105 . . . . 0.0 112.457 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.33 -32.57 74.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.152 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -105.05 3.68 30.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.823 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.474 ' HB2' ' HA ' ' A' ' 59' ' ' PRO . 8.4 mp -109.51 147.39 33.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.04 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -122.64 122.38 38.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.92 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -63.69 141.81 58.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.726 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -139.42 128.4 23.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.926 0.393 . . . . 0.0 111.453 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 C--N 1.331 -0.207 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.59 179.411 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.772 0.32 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -122.24 109.67 14.76 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.307 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.638 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 36.9 mt -84.77 115.45 26.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.917 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -94.69 142.67 27.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.771 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.5 p -101.93 135.03 40.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 38.5 t -94.01 116.73 35.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.5 p -120.83 10.0 10.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.997 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -116.11 21.64 13.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.169 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.446 ' HA ' ' HB2' ' A' ' 25' ' ' GLU . 9.6 m-20 64.01 -80.13 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.203 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 42.3 t80 61.76 83.6 0.15 Allowed 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.235 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 mp -117.53 108.66 42.92 Favored Pre-proline 0 C--N 1.332 -0.189 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.092 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -58.6 131.35 41.91 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.184 1.922 . . . . 0.0 112.084 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.7 mt -90.86 96.21 10.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.907 0.384 . . . . 0.0 110.772 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.11 -164.49 13.16 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.302 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -103.17 100.15 10.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.813 0.339 . . . . 0.0 110.961 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -100.66 138.67 37.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -72.9 143.05 47.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 57.85 22.98 9.19 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.182 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -119.32 137.45 53.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.178 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.0 tt -114.6 138.56 44.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.6 p -74.1 137.97 43.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.741 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.401 HD11 HG11 ' A' ' 57' ' ' VAL . 84.5 mt -132.77 145.81 51.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.168 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -120.41 143.98 48.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.596 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.446 ' HB2' ' HA ' ' A' ' 10' ' ' ASP . 0.7 OUTLIER -55.21 101.28 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.592 179.875 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.97 17.36 2.78 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.578 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -101.28 134.9 43.64 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 120.84 0.352 . . . . 0.0 111.161 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -104.22 139.43 39.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.517 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.8 p -159.39 123.98 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.638 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 10.0 pt-20 -74.75 153.53 38.77 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.143 179.059 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.566 ' HA ' HG12 ' A' ' 42' ' ' VAL . 11.9 p -95.4 140.68 16.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.18 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 67.4 mt -96.39 -69.29 0.76 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.653 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -125.24 166.53 16.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.751 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -113.83 -56.65 2.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 59.58 -87.03 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.288 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -104.0 126.48 31.64 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.667 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.572 ' HA ' ' HE1' ' A' ' 40' ' ' TRP . 71.2 Cg_exo -53.5 -23.86 26.42 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.633 2.222 . . . . 0.0 112.715 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.5 tt -57.36 -55.04 39.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -137.06 138.69 40.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.941 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.572 ' HE1' ' HA ' ' A' ' 37' ' ' PRO . 54.8 m0 -109.98 153.04 25.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 49.8 tp -85.98 130.23 34.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.481 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.566 HG12 ' HA ' ' A' ' 31' ' ' VAL . 34.4 m -145.05 139.42 22.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.754 0.311 . . . . 0.0 111.653 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.517 ' HB3' ' HB3' ' A' ' 54' ' ' GLN . 14.0 ptm180 -124.03 115.64 21.53 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.307 179.122 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.9 p -65.22 154.87 36.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.232 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -84.6 139.81 38.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.676 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo . . . . . 0 C--N 1.347 0.467 0 C-N-CA 122.267 1.978 . . . . 0.0 112.233 -179.93 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo . . . . . 0 C--O 1.232 0.197 0 CA-C-O 120.794 0.248 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.6 t -67.12 124.93 24.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.152 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 53' ' ' ARG . 20.9 mtm180 -118.21 125.02 49.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.638 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.517 ' HB3' ' HB3' ' A' ' 43' ' ' ARG . 8.0 pt20 -99.84 134.77 42.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.0 0.429 . . . . 0.0 111.365 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -151.25 138.43 6.57 Favored Glycine 0 N--CA 1.451 -0.321 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.19 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 60.9 m95 -74.51 125.06 27.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.73 0.3 . . . . 0.0 110.728 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.401 HG11 HD11 ' A' ' 23' ' ' LEU . 34.9 m -132.85 172.08 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.217 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 56.6 m -85.47 113.38 50.5 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.929 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -71.02 -2.82 11.67 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.466 2.111 . . . . 0.0 112.534 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.41 -11.36 59.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.177 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -117.3 3.8 12.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.698 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.5 mp -114.39 136.18 53.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.385 -179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -117.84 131.87 56.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.317 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -55.59 149.83 13.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.962 0.41 . . . . 0.0 111.032 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 27.0 ttt180 -143.63 127.07 16.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.847 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.2 tp . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.968 -179.858 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.478 ' HB3' ' HB2' ' A' ' 30' ' ' GLU . 52.2 m-85 . . . . . 0 CA--C 1.528 0.119 0 CA-C-O 120.635 0.255 . . . . 0.0 110.638 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -122.14 111.29 16.8 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.218 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.651 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 46.5 mt -84.54 122.68 38.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.539 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -95.91 155.11 16.89 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.624 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 63' ' ' ASP . 13.1 p -121.28 138.73 50.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.109 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.7 t -88.8 119.1 35.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.8 p -127.28 17.51 7.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.117 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -132.73 2.97 3.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.394 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.1 t70 60.31 101.95 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.2 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -102.95 93.3 4.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.789 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 76.6 mt -112.99 105.28 55.81 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.685 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.436 ' HG2' HG22 ' A' ' 22' ' ' THR . 36.2 Cg_exo -58.73 128.98 30.1 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.47 2.113 . . . . 0.0 112.485 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 86.1 mt -91.6 96.24 10.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.59 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.85 -137.64 14.03 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.525 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -126.66 109.18 11.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.757 0.313 . . . . 0.0 111.085 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -106.22 124.44 49.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -63.0 149.45 44.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.264 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.2 p30 43.87 31.86 0.54 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.695 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -115.89 148.51 39.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.866 0.365 . . . . 0.0 111.042 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 14.2 tt -117.12 140.94 37.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.944 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.436 HG22 ' HG2' ' A' ' 13' ' ' PRO . 70.8 p -80.99 147.39 30.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.183 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.498 HD11 HG11 ' A' ' 57' ' ' VAL . 90.1 mt -139.1 166.56 24.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.174 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -135.86 143.04 44.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.577 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -60.17 106.97 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.69 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 120.49 17.91 4.22 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.422 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -101.21 166.02 10.99 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 120.88 0.371 . . . . 0.0 111.123 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.44 ' HB3' HG21 ' A' ' 4' ' ' ILE . 32.7 m-85 -133.01 135.45 45.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.768 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.434 ' N ' HG23 ' A' ' 4' ' ' ILE . 2.4 p -159.63 123.79 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.525 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.651 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 0.6 OUTLIER -76.84 153.39 34.86 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.137 179.277 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.569 ' HA ' HG12 ' A' ' 42' ' ' VAL . 12.7 p -87.68 143.22 11.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.176 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.588 HD11 ' HB2' ' A' ' 43' ' ' ARG . 97.1 mt -94.11 -73.0 0.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.852 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -94.51 -173.63 3.1 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -144.31 11.76 1.53 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.226 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.25 147.04 50.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.297 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 71.3 m80 59.68 98.31 0.04 OUTLIER Pre-proline 0 CA--C 1.53 0.197 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.403 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -52.79 -25.19 26.13 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 122.561 2.174 . . . . 0.0 112.37 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 61.2 tp -60.26 -66.12 0.57 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.967 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -125.6 135.78 52.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 18.5 m0 -112.42 152.27 28.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.791 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.9 tp -79.77 136.84 36.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.586 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.569 HG12 ' HA ' ' A' ' 31' ' ' VAL . 27.0 m -142.98 150.22 18.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.917 0.389 . . . . 0.0 111.545 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.588 ' HB2' HD11 ' A' ' 32' ' ' LEU . 40.5 ttm180 -136.88 111.9 8.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.436 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.406 ' HA ' HG23 ' A' ' 29' ' ' VAL . 44.9 p -57.74 155.89 9.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.515 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -85.71 133.98 40.64 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.844 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo . . . . . 0 C--N 1.347 0.467 0 C-N-CA 122.47 2.113 . . . . 0.0 112.451 179.965 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo . . . . . 0 C--O 1.231 0.142 0 CA-C-O 120.861 0.275 . . . . 0.0 112.399 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.7 p -91.66 126.68 36.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.073 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -102.74 160.41 14.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -132.69 127.04 33.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.715 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -152.28 163.52 30.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.514 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 77.2 m95 -92.81 129.44 38.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.738 0.304 . . . . 0.0 110.602 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.498 HG11 HD11 ' A' ' 23' ' ' LEU . 35.8 m -130.45 162.65 37.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.819 0.343 . . . . 0.0 111.461 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 52.6 m -90.33 114.75 62.18 Favored Pre-proline 0 CA--C 1.531 0.227 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.739 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -71.71 -0.45 8.36 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.328 2.019 . . . . 0.0 112.458 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.06 -4.45 28.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.182 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -130.21 9.24 5.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.994 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -109.62 156.28 20.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.383 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.407 ' O ' HG12 ' A' ' 6' ' ' VAL . 17.8 t70 -126.21 110.55 13.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.159 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 20.3 ptp180 -56.61 149.23 17.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.011 0.434 . . . . 0.0 111.402 -179.397 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.541 ' HE ' ' H ' ' A' ' 66' ' ' LEU . 6.0 tpm_? -141.18 138.37 33.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.51 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.541 ' H ' ' HE ' ' A' ' 65' ' ' ARG . 5.2 mp . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.798 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.476 ' HB3' ' HB2' ' A' ' 30' ' ' GLU . 92.7 m-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.645 0.259 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -122.18 105.26 10.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.873 0.368 . . . . 0.0 111.54 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.641 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 47.6 mt -84.97 114.73 25.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.025 179.57 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -94.67 141.53 28.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.72 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.1 p -102.1 132.99 46.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.027 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.8 t -85.89 112.77 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.949 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.5 p -118.74 20.88 12.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.27 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -137.33 9.94 2.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.306 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.1 t70 62.75 162.27 0.09 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.797 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -161.73 93.38 0.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 63.4 tp -117.22 107.74 44.94 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.03 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -57.78 144.09 94.12 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.458 2.105 . . . . 0.0 112.549 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.2 mt -88.43 95.77 10.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.542 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.78 -134.45 18.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.367 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.46 112.71 24.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.775 0.321 . . . . 0.0 110.805 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -120.23 129.37 54.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.766 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.401 ' OE1' ' N ' ' A' ' 18' ' ' GLN . 14.1 mp0 -86.96 149.62 24.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.067 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 60.99 23.6 13.75 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.043 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -123.5 158.88 30.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.024 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.9 tt -135.9 133.52 50.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.8 t -58.63 137.23 57.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.43 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.4 mt -147.26 168.3 22.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.847 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -139.83 159.48 42.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.918 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -72.05 101.83 2.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.61 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 127.76 15.07 2.44 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.437 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -101.2 155.68 17.87 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 120.828 0.347 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -118.94 138.29 52.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.769 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.418 HG22 ' HB ' ' A' ' 42' ' ' VAL . 2.8 p -158.48 123.93 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-O 120.975 0.417 . . . . 0.0 112.033 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.641 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 11.4 pt-20 -75.16 153.46 38.19 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.821 178.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.51 ' HA ' HG12 ' A' ' 42' ' ' VAL . 13.2 p -95.17 136.27 26.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.286 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.1 mt -93.83 -52.05 4.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.881 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -139.31 173.79 11.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.05 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -124.73 -69.24 0.81 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 60.65 -85.37 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.665 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -90.89 118.04 68.34 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.984 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.544 ' HA ' ' HE1' ' A' ' 40' ' ' TRP . 74.4 Cg_exo -54.37 -26.2 42.92 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.699 2.266 . . . . 0.0 112.499 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 98.1 mt -61.87 -44.89 95.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.015 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -145.04 131.64 19.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.172 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.544 ' HE1' ' HA ' ' A' ' 37' ' ' PRO . 52.7 m0 -106.6 145.95 31.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.436 HD11 ' HG2' ' A' ' 54' ' ' GLN . 55.7 tp -80.29 131.98 35.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.924 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.51 HG12 ' HA ' ' A' ' 31' ' ' VAL . 31.5 m -135.76 160.98 39.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.59 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.41 ' C ' HG23 ' A' ' 29' ' ' VAL . 52.7 ttp180 -137.03 111.94 8.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.48 179.753 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.411 ' HA ' HG23 ' A' ' 29' ' ' VAL . 34.9 p -62.71 158.21 19.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.327 -179.666 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -86.64 127.95 58.5 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.869 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo . . . . . 0 C--N 1.349 0.58 0 C-N-CA 122.457 2.105 . . . . 0.0 112.593 -179.938 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo . . . . . 0 C--O 1.232 0.201 0 CA-C-O 120.733 0.222 . . . . 0.0 112.083 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.3 t -72.41 123.05 22.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.044 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -109.41 145.12 36.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.552 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.436 ' HG2' HD11 ' A' ' 41' ' ' LEU . 15.3 tt0 -122.76 127.28 48.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.855 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -151.92 162.69 29.83 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.661 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 79.0 m95 -89.91 138.51 31.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.684 0.278 . . . . 0.0 110.535 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.4 m -134.57 171.96 16.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.346 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 59.9 p -94.09 111.15 52.07 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.692 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.47 -3.4 12.4 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.301 2.001 . . . . 0.0 112.483 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.6 -3.4 30.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.119 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -132.83 13.54 4.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.7 mp -110.74 143.63 40.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.466 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -116.02 127.25 54.76 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.507 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -73.63 130.86 40.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.985 0.422 . . . . 0.0 111.396 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.6 mtp180 -142.27 141.46 32.47 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.487 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 85.6 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.073 -179.832 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 . . . . . 0 N--CA 1.461 0.123 0 CA-C-O 120.932 0.396 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.486 ' O ' ' HA ' ' A' ' 30' ' ' GLU . 12.5 t0 -95.86 103.62 15.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.605 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.595 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 42.8 mt -83.85 138.24 19.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.986 0.422 . . . . 0.0 111.436 -179.524 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -120.88 160.08 24.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.533 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.7 p -122.95 130.42 74.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.099 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 49.0 t -82.47 121.41 35.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.703 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.436 ' HA ' ' HG2' ' A' ' 25' ' ' GLU . 79.0 p -127.84 29.71 5.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.246 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -144.12 10.11 1.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.31 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 55.88 93.69 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.066 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.418 ' C ' HD22 ' A' ' 12' ' ' LEU . 55.7 t80 -91.28 82.43 5.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.867 0.365 . . . . 0.0 110.847 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.418 HD22 ' C ' ' A' ' 11' ' ' TYR . 4.1 mm? -115.92 108.98 45.61 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.1 133.94 56.37 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.33 2.02 . . . . 0.0 112.212 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 78.3 mt -102.46 96.75 7.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.667 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 114.21 -164.72 12.04 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.275 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.43 97.7 10.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.797 0.332 . . . . 0.0 111.082 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -109.53 153.03 24.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.456 ' H ' ' CD ' ' A' ' 18' ' ' GLN . 5.4 pm0 -104.59 148.51 26.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.596 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 59.83 18.6 7.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -107.49 125.79 51.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.157 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 14.7 tt -102.71 139.3 24.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.1 p -80.17 125.06 29.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.534 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.7 mt -127.57 142.58 51.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.951 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -106.4 133.62 50.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.773 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.436 ' HG2' ' HA ' ' A' ' 8' ' ' THR . 2.1 tm-20 -51.74 115.09 1.48 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.716 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 117.12 13.36 7.73 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.291 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -101.25 152.73 20.32 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 120.806 0.336 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -117.01 137.7 52.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.482 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.441 ' HB ' HG22 ' A' ' 44' ' ' THR . 2.2 p -159.0 124.48 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -179.516 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.595 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 0.2 OUTLIER -80.41 153.14 28.46 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.392 178.633 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.535 ' HA ' HG12 ' A' ' 42' ' ' VAL . 11.9 p -87.5 137.04 21.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.896 0.379 . . . . 0.0 111.483 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.4 mt -87.98 -77.22 0.36 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.883 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -102.56 129.7 49.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -101.45 105.41 16.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -145.48 125.89 14.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 33.7 m80 63.78 109.69 0.03 OUTLIER Pre-proline 0 CA--C 1.532 0.262 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.983 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -51.54 -23.88 15.7 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.723 2.282 . . . . 0.0 112.699 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.8 mt -56.01 -55.52 31.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.174 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.584 HH21 ' HB2' ' A' ' 56' ' ' TRP . 11.5 ptm180 -146.07 131.34 18.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.083 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 21.9 m0 -111.85 155.38 23.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.035 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 54.0 tp -85.8 120.14 26.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.671 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.535 HG12 ' HA ' ' A' ' 31' ' ' VAL . 22.2 m -128.66 158.58 40.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.888 0.375 . . . . 0.0 111.601 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -139.52 111.79 7.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.441 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.441 HG22 ' HB ' ' A' ' 29' ' ' VAL . 24.7 p -68.62 152.31 45.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.967 0.413 . . . . 0.0 111.6 -179.408 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -73.59 120.56 81.79 Favored Pre-proline 0 CA--C 1.531 0.232 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.758 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.4 ' HB3' ' N ' ' A' ' 52' ' ' SER . 27.8 Cg_endo . . . . . 0 C--N 1.349 0.599 0 C-N-CA 122.367 2.045 . . . . 0.0 112.426 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo . . . . . 0 C--O 1.232 0.208 0 CA-C-O 120.797 0.249 . . . . 0.0 112.26 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.4 ' N ' ' HB3' ' A' ' 46' ' ' PRO . 41.1 t -66.78 150.41 49.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.164 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -130.24 116.14 17.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.889 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -104.25 127.7 51.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.796 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -151.34 163.09 29.77 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.621 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.584 ' HB2' HH21 ' A' ' 39' ' ' ARG . 47.0 m95 -86.94 125.93 34.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.738 0.304 . . . . 0.0 110.438 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 33.1 m -122.87 167.68 16.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.407 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 57.0 m -97.83 118.46 63.94 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.826 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -68.88 -4.24 13.0 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.365 2.043 . . . . 0.0 112.638 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.53 -8.42 51.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.247 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -126.72 8.92 6.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.688 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.2 mp -106.68 142.93 35.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.225 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -114.64 149.11 37.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.847 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -80.73 123.01 27.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.503 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.4 ' HD2' HH11 ' A' ' 65' ' ' ARG . 11.3 ptm180 -143.43 130.1 20.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.947 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.534 HD23 ' N ' ' A' ' 66' ' ' LEU . 1.4 pt? . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 121.03 0.443 . . . . 0.0 110.878 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.51 ' HB3' ' HB2' ' A' ' 30' ' ' GLU . 66.8 m-85 . . . . . 0 N--CA 1.463 0.185 0 CA-C-O 120.845 0.355 . . . . 0.0 110.953 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.444 ' HB2' HG12 ' A' ' 31' ' ' VAL . 10.7 m-20 -122.39 100.69 7.07 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.333 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.652 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 65.7 mt -84.38 111.67 20.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.999 179.75 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -94.82 127.88 41.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.8 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.0 p -85.75 132.24 32.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.108 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 47.3 t -83.72 119.56 33.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.667 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.8 t -135.05 23.38 3.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.371 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -130.52 2.35 4.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.069 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.6 t70 61.81 109.32 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.987 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -118.59 91.4 3.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.936 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.42 HD12 ' HD2' ' A' ' 13' ' ' PRO . 57.8 tp -117.31 118.15 35.91 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.42 ' HD2' HD12 ' A' ' 12' ' ' LEU . 34.7 Cg_exo -59.03 150.22 74.43 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.379 2.053 . . . . 0.0 112.447 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.465 HD12 ' N ' ' A' ' 14' ' ' LEU . 4.9 mp -104.79 96.41 6.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.773 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.73 -137.95 13.64 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.546 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -118.89 106.58 12.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.871 0.367 . . . . 0.0 111.027 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -116.61 147.75 41.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.951 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -87.82 148.6 24.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 58.87 23.39 11.3 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.069 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -112.55 130.11 56.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.225 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.401 ' HB ' ' HA3' ' A' ' 55' ' ' GLY . 16.3 tt -103.59 143.82 15.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.2 p -86.79 118.74 26.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.106 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.0 mt -118.43 159.57 23.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.978 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.5 mmm180 -125.57 145.36 50.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.74 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -62.49 98.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.833 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 129.01 14.79 2.19 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.379 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -101.12 152.76 20.23 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 120.928 0.394 . . . . 0.0 111.209 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -112.11 136.28 51.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.286 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.432 ' N ' HG23 ' A' ' 4' ' ' ILE . 3.6 p -158.99 124.53 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.851 0.358 . . . . 0.0 111.891 -179.65 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.652 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 0.4 OUTLIER -76.52 153.75 35.19 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.057 179.007 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.472 ' HA ' HG12 ' A' ' 42' ' ' VAL . 13.1 p -95.4 142.06 14.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.139 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 90.8 mt -102.94 -68.61 0.83 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.777 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.488 ' HB3' ' HB3' ' A' ' 41' ' ' LEU . 29.6 t70 -97.23 146.06 25.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.784 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -123.49 7.95 8.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.368 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.48 138.22 58.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.031 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 60.92 101.3 0.04 OUTLIER Pre-proline 0 CA--C 1.531 0.245 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.018 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.488 ' HA ' ' HE1' ' A' ' 40' ' ' TRP . 74.4 Cg_exo -52.34 -22.35 15.67 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.8 2.333 . . . . 0.0 112.773 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -49.67 -57.05 7.96 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.066 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -147.59 140.25 24.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.739 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.488 ' HE1' ' HA ' ' A' ' 37' ' ' PRO . 54.0 m0 -115.36 151.04 35.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.143 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.513 HD11 ' HB3' ' A' ' 54' ' ' GLN . 54.6 tp -84.66 138.72 32.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.458 179.398 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.472 HG12 ' HA ' ' A' ' 31' ' ' VAL . 32.4 m -139.76 155.79 25.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.964 0.412 . . . . 0.0 111.446 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -132.74 111.9 11.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.238 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.1 p -67.68 143.99 55.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.902 0.382 . . . . 0.0 111.146 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -63.82 119.63 56.36 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.718 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--N 1.35 0.605 0 C-N-CA 122.294 1.996 . . . . 0.0 112.422 -179.925 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo . . . . . 0 C--O 1.231 0.144 0 CA-C-O 120.8 0.25 . . . . 0.0 112.227 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 77.0 p -67.71 112.62 4.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.6 tpt180 -111.11 155.56 22.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.784 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.513 ' HB3' HD11 ' A' ' 41' ' ' LEU . 23.2 mt-30 -136.25 130.89 33.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.777 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.401 ' HA3' ' HB ' ' A' ' 21' ' ' ILE . . . -151.17 163.04 29.7 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.75 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -90.7 140.71 29.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.749 0.309 . . . . 0.0 110.741 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.0 m -138.82 170.89 15.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.384 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.6 m -99.59 113.94 65.28 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.568 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.401 ' HA ' ' HB2' ' A' ' 62' ' ' LEU . 46.0 Cg_endo -67.59 -5.68 14.79 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.334 2.023 . . . . 0.0 112.47 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.16 -17.44 63.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.119 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -118.54 12.82 13.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.401 ' HB2' ' HA ' ' A' ' 59' ' ' PRO . 7.9 mp -103.1 135.94 43.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.187 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -108.61 118.78 37.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.721 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.699 ' H ' ' HD3' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -62.68 120.59 11.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.362 -179.697 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 65' ' ' ARG . 23.4 ttt180 -143.42 140.89 30.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.725 179.586 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 33.4 tp . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.034 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.514 ' HB3' ' HB2' ' A' ' 30' ' ' GLU . 31.0 m-85 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.699 0.285 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -121.75 111.97 17.81 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.825 0.345 . . . . 0.0 111.115 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.644 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 40.3 mt -84.26 136.65 22.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.294 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -112.89 145.44 40.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.626 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.9 p -107.31 128.93 61.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.989 0.423 . . . . 0.0 110.92 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 40.0 t -78.31 107.39 10.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.805 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 79.5 p -113.85 16.69 18.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.288 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -137.74 10.6 2.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.364 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.3 t70 63.65 158.88 0.08 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.149 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -157.91 88.5 0.97 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.824 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.47 HD12 ' HD2' ' A' ' 13' ' ' PRO . 47.8 tp -106.71 123.45 38.58 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.47 ' HD2' HD12 ' A' ' 12' ' ' LEU . 40.5 Cg_exo -58.79 148.16 84.78 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 122.368 2.045 . . . . 0.0 112.409 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.8 mt -99.06 95.94 7.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.603 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.91 -95.41 0.72 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.625 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -117.54 112.85 21.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.868 0.366 . . . . 0.0 111.161 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.427 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -82.62 134.61 35.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.113 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -109.56 117.09 33.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 58.96 18.25 6.07 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.983 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.427 ' HB3' ' HB2' ' A' ' 17' ' ' GLU . . . -114.3 165.64 12.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.017 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.6 tt -125.67 135.79 62.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.075 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.7 t -68.62 145.33 54.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.978 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.4 mt -146.28 169.26 19.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.106 0.479 . . . . 0.0 111.355 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.2 mtt180 -133.95 149.95 51.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.335 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -62.75 93.77 0.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.971 0.415 . . . . 0.0 110.625 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 136.21 17.61 0.78 Allowed Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.168 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -101.06 144.59 29.79 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 120.852 0.358 . . . . 0.0 110.808 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.433 ' HB3' HG21 ' A' ' 4' ' ' ILE . 13.3 m-85 -108.75 135.88 49.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.742 -179.682 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.481 HG22 ' HB ' ' A' ' 42' ' ' VAL . 2.8 p -157.59 123.54 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-O 120.98 0.419 . . . . 0.0 111.924 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.644 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 8.9 pt-20 -77.68 153.92 32.62 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.739 179.666 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.603 ' HA ' HG12 ' A' ' 42' ' ' VAL . 13.9 p -88.27 144.7 8.63 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.056 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 90.3 mt -112.76 -71.24 0.76 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.483 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.429 ' HB2' ' HB3' ' A' ' 41' ' ' LEU . 15.0 t70 -57.27 -75.14 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.64 -179.328 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.94 91.16 0.07 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.038 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -140.4 -70.63 0.38 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.287 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.483 ' ND1' ' HG ' ' A' ' 38' ' ' LEU . 2.2 t-80 -107.88 134.06 20.23 Favored Pre-proline 0 CA--C 1.531 0.23 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.813 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.424 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 88.8 Cg_exo -51.15 -21.16 8.79 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.769 2.313 . . . . 0.0 112.64 -179.639 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.483 ' HG ' ' ND1' ' A' ' 36' ' ' HIS . 60.6 mt -51.58 -69.43 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.353 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -147.71 132.9 18.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.176 -179.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 26.6 m0 -115.42 150.74 35.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.273 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.429 ' HB3' ' HB2' ' A' ' 33' ' ' ASP . 34.6 tp -87.23 117.64 26.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.037 179.094 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.603 HG12 ' HA ' ' A' ' 31' ' ' VAL . 18.0 m -126.17 150.36 31.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.839 0.352 . . . . 0.0 111.805 -179.202 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.471 ' C ' HG23 ' A' ' 29' ' ' VAL . 15.6 ttm180 -124.75 113.7 18.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.621 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.9 p -62.49 142.09 58.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.849 0.357 . . . . 0.0 111.194 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -72.68 130.56 85.36 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.139 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo . . . . . 0 C--N 1.349 0.581 0 C-N-CA 122.427 2.085 . . . . 0.0 112.09 179.687 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo . . . . . 0 C--O 1.231 0.147 0 CA-C-O 120.805 0.252 . . . . 0.0 112.103 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.7 p -75.91 127.23 32.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.962 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 -121.18 132.35 54.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.698 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.417 ' HB3' ' HB2' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -116.88 134.4 54.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.473 -179.727 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -150.11 154.9 25.95 Favored Glycine 0 N--CA 1.451 -0.331 0 CA-C-N 115.848 -0.614 . . . . 0.0 112.317 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 65.1 m95 -75.56 123.0 24.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.729 0.3 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 28.4 m -122.76 164.53 19.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.171 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.1 p -88.5 110.62 38.09 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.43 -7.77 21.84 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.498 2.132 . . . . 0.0 112.839 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.82 -14.1 62.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.097 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -116.38 11.75 15.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.716 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.0 mp -110.67 149.96 29.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.197 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -117.1 144.39 44.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.435 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.624 ' H ' ' HD3' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -64.0 132.55 50.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.908 0.385 . . . . 0.0 111.071 -179.803 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -143.3 105.88 4.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.816 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.452 ' N ' HD12 ' A' ' 66' ' ' LEU . 6.7 mp . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.94 0.4 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.44 ' O ' ' HA ' ' A' ' 30' ' ' GLU . 10.7 m-20 -90.28 100.92 13.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.249 -179.738 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.561 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 46.4 mt -85.01 114.73 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.391 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -100.39 130.43 46.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.753 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.1 p -86.04 139.06 17.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.026 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 43.9 t -93.14 113.66 28.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.975 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 67.2 p -116.21 12.05 15.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.009 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -121.83 2.76 10.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.975 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.8 t70 72.18 -63.88 0.41 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.434 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 47.8 t80 63.74 78.11 0.3 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.98 0.419 . . . . 0.0 110.606 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 55.9 tp -106.84 108.11 61.44 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.029 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo -62.56 150.0 89.12 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.373 2.049 . . . . 0.0 112.157 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.8 mt -112.89 96.42 5.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.557 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.83 -159.93 18.08 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.275 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.15 99.44 11.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.813 0.34 . . . . 0.0 110.959 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -94.87 149.3 21.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.024 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -92.43 139.68 30.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.185 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 56.95 26.77 12.2 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.088 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -117.64 161.29 19.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.127 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 16.3 tt -141.59 142.91 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.0 t -75.17 141.92 43.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.905 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.9 mt -140.1 151.94 45.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.929 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -115.43 139.94 49.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.846 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -58.91 105.66 0.34 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.955 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 120.53 17.53 4.3 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.657 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -101.31 142.99 31.92 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 120.873 0.368 . . . . 0.0 111.09 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.446 ' HB3' HG21 ' A' ' 4' ' ' ILE . 30.4 m-85 -101.56 136.55 41.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.739 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.46 HG23 ' C ' ' A' ' 43' ' ' ARG . 1.5 p -158.16 122.9 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.561 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 0.6 OUTLIER -84.11 153.26 23.84 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.5 178.676 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.626 HG21 ' HB2' ' A' ' 34' ' ' ALA . 12.3 p -90.75 144.71 8.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.335 -179.709 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.479 HD11 ' HB2' ' A' ' 43' ' ' ARG . 70.9 mt -92.17 -79.35 0.39 Allowed 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.89 -179.526 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -80.64 -75.53 0.27 Allowed 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.237 -178.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.626 ' HB2' HG21 ' A' ' 31' ' ' VAL . . . 68.27 111.01 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.935 -179.146 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -159.37 -64.58 0.08 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.195 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -61.59 118.29 36.18 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -53.4 -27.33 39.12 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.625 2.216 . . . . 0.0 112.659 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.473 ' H ' HD12 ' A' ' 38' ' ' LEU . 6.3 mp -65.24 -57.15 9.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.085 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.6 ptt180 -144.11 146.71 32.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.083 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 46.1 m0 -112.55 151.54 29.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.023 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 62.2 tp -82.43 98.95 9.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.797 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 29.8 m -104.18 154.23 6.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.92 0.391 . . . . 0.0 111.066 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.479 ' HB2' HD11 ' A' ' 32' ' ' LEU . 62.2 ttt180 -142.15 111.77 6.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.822 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 58.7 p -62.74 124.83 22.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.027 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.0 pttt -67.2 130.74 93.6 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.704 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo . . . . . 0 C--N 1.349 0.556 0 C-N-CA 122.246 1.964 . . . . 0.0 112.465 -179.774 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_endo . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.791 0.246 . . . . 0.0 112.296 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.9 p -68.2 155.09 40.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.047 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 65.5 mtm180 -129.58 121.61 27.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.81 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -107.88 127.54 53.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.0 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -152.03 150.79 22.72 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.376 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 44.4 m95 -82.58 128.65 34.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.685 0.279 . . . . 0.0 110.557 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.8 m -131.39 171.63 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 111.318 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.3 m -87.76 115.35 62.71 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.5 -3.07 12.31 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.312 2.008 . . . . 0.0 112.341 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.31 -13.07 62.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.18 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -118.97 15.01 13.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.975 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.3 mp -104.08 157.79 16.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -128.84 123.04 31.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.798 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 50.3 ttp180 -63.98 118.11 7.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.975 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -141.56 125.5 17.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.545 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 59.0 mt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 -179.664 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.642 0.258 . . . . 0.0 110.796 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -122.45 111.86 17.35 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.91 0.386 . . . . 0.0 111.836 -179.347 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.606 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 35.0 mt -85.51 113.4 23.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.707 178.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -94.41 142.86 26.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.645 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.4 p -99.72 140.86 18.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 45.4 t -88.94 109.36 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.984 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 58.9 p -116.44 8.19 14.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.296 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -122.54 16.46 10.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.375 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.4 t70 66.8 -73.92 0.07 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.219 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.9 t80 63.72 87.33 0.11 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.059 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.445 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 45.5 tp -117.27 125.48 28.15 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.493 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 12' ' ' LEU . 23.8 Cg_exo -64.11 143.64 84.85 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.27 1.98 . . . . 0.0 112.513 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.6 mt -116.22 96.49 5.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.688 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.67 -137.21 14.08 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.481 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -119.18 98.05 5.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.833 0.349 . . . . 0.0 111.053 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -98.27 140.85 31.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.047 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -99.76 147.23 25.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.046 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 58.24 18.4 5.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.198 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -109.17 152.46 25.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.119 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.5 tt -124.2 133.67 68.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.067 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.9 t -63.38 148.84 47.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.183 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.687 HD11 HG11 ' A' ' 57' ' ' VAL . 86.6 mt -141.68 159.97 41.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.979 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -134.8 140.33 45.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.636 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -54.27 104.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.54 17.78 3.13 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.598 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -101.59 155.2 18.23 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 120.81 0.338 . . . . 0.0 111.171 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -122.38 140.71 52.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.204 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.445 HG23 ' C ' ' A' ' 43' ' ' ARG . 2.4 p -157.98 123.09 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.739 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.606 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 13.2 pt-20 -74.42 153.5 39.19 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.76 178.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.603 ' HA ' HG12 ' A' ' 42' ' ' VAL . 12.4 p -95.72 142.92 12.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.402 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.7 mt -100.26 -76.65 0.55 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.732 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -119.15 163.99 16.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.881 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.48 -84.22 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.064 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 58.14 103.24 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.522 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 31.5 m170 64.36 114.66 0.02 OUTLIER Pre-proline 0 CA--C 1.531 0.216 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.326 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.41 ' HA ' ' HE1' ' A' ' 40' ' ' TRP . 71.0 Cg_exo -55.46 -23.79 40.69 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.724 2.283 . . . . 0.0 112.646 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.7 mp -56.88 -56.88 15.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.997 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -137.95 139.88 39.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.41 ' HE1' ' HA ' ' A' ' 37' ' ' PRO . 44.7 m0 -110.38 152.9 25.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.012 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 59.5 tp -79.41 130.45 35.43 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.899 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.603 HG12 ' HA ' ' A' ' 31' ' ' VAL . 30.5 m -142.76 144.81 23.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.4 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.445 ' C ' HG23 ' A' ' 29' ' ' VAL . 15.5 ptm180 -122.05 123.95 42.8 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.557 179.306 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.3 p -66.45 131.52 46.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.346 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -65.43 114.44 15.62 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.577 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.434 ' HG3' ' HB3' ' A' ' 52' ' ' SER . 74.3 Cg_endo . . . . . 0 C--N 1.349 0.554 0 C-N-CA 122.337 2.025 . . . . 0.0 112.655 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo . . . . . 0 C--O 1.232 0.199 0 CA-C-O 120.766 0.236 . . . . 0.0 112.177 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.434 ' HB3' ' HG3' ' A' ' 46' ' ' PRO . 83.3 p -83.26 122.87 28.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.143 -179.736 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.406 ' HA ' ' NE ' ' A' ' 53' ' ' ARG . 3.7 mmp_? -125.76 132.35 52.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.648 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -119.62 132.55 55.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -148.19 159.18 27.95 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.51 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 54.3 m95 -82.45 128.65 34.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.833 0.349 . . . . 0.0 110.76 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.687 HG11 HD11 ' A' ' 23' ' ' LEU . 24.6 m -128.87 170.44 18.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.254 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.3 m -84.56 110.5 27.66 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.713 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -70.54 -6.76 19.73 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.35 2.033 . . . . 0.0 112.499 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.7 -18.06 62.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.193 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -111.78 10.42 20.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.2 mp -103.4 145.51 29.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.047 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -117.63 118.72 32.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.78 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 -63.48 115.17 4.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -136.0 129.11 31.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.954 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.554 HD13 ' H ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.804 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.517 ' HB3' ' HB2' ' A' ' 30' ' ' GLU . 15.9 m-85 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.715 0.293 . . . . 0.0 110.565 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -113.75 114.29 26.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.186 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.623 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 25.1 mt -84.66 120.1 34.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.062 0.458 . . . . 0.0 111.545 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -97.27 156.06 16.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.35 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.3 p -110.33 132.45 58.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.9 0.381 . . . . 0.0 111.154 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.2 t -90.28 118.09 34.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.896 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.6 p -125.83 24.0 7.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.231 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -129.55 17.36 5.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.104 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 64.94 -78.47 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.264 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.3 t80 62.32 86.21 0.11 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.741 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 97.1 mt -117.68 118.45 35.03 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.078 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.86 136.6 71.1 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.487 2.125 . . . . 0.0 112.318 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.567 HD23 ' H ' ' A' ' 14' ' ' LEU . 0.8 OUTLIER -111.78 97.97 7.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.046 179.837 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 109.96 -119.0 5.27 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.61 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -126.36 109.06 11.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.792 0.33 . . . . 0.0 111.187 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.498 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -96.63 144.15 26.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.989 179.881 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -112.37 138.27 49.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.205 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 56.2 18.52 3.32 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.36 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.498 ' HB3' ' HB2' ' A' ' 17' ' ' GLU . . . -113.37 168.39 9.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.191 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.6 tt -135.43 130.98 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.017 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.2 t -61.37 148.41 41.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.6 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.538 HD11 HG11 ' A' ' 57' ' ' VAL . 96.2 mt -144.2 159.47 42.61 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.683 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 24' ' ' ARG . 41.8 mtm180 -132.04 153.81 50.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.981 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -63.83 93.19 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.647 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 127.59 21.63 1.58 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.53 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -101.42 147.04 26.81 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 120.83 0.348 . . . . 0.0 110.999 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -113.81 139.77 48.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.51 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.439 HG23 ' C ' ' A' ' 43' ' ' ARG . 2.9 p -158.73 123.88 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-O 120.999 0.428 . . . . 0.0 112.121 -179.585 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.623 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 11.3 pt-20 -76.54 153.59 35.3 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.239 179.279 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.607 ' HA ' HG12 ' A' ' 42' ' ' VAL . 14.2 p -91.03 144.85 8.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.63 -179.557 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.462 HD11 ' HD3' ' A' ' 43' ' ' ARG . 95.3 mt -105.05 -81.98 0.53 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.725 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -70.84 -79.43 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.003 -178.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.592 ' HB2' HG21 ' A' ' 31' ' ' VAL . . . 62.51 18.79 10.72 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.116 -179.46 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -79.43 -16.16 56.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.0 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 43.7 m80 -95.38 119.12 65.92 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.601 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -53.13 -25.19 28.39 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.643 2.229 . . . . 0.0 113.119 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.0 mt -80.22 -88.87 0.07 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.485 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.54 ' HG2' ' HB3' ' A' ' 56' ' ' TRP . 2.7 ttp180 -100.0 147.97 25.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.93 0.395 . . . . 0.0 111.166 -179.582 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 54.8 m0 -113.17 139.74 48.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.072 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.4 tp -83.35 136.91 34.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.15 179.361 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.607 HG12 ' HA ' ' A' ' 31' ' ' VAL . 27.0 m -142.52 159.37 19.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.91 0.386 . . . . 0.0 111.782 -179.565 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.462 ' HD3' HD11 ' A' ' 32' ' ' LEU . 34.3 ptt180 -137.09 123.72 21.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.107 179.059 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.1 p -72.35 149.35 44.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.887 0.375 . . . . 0.0 111.392 -179.37 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -76.64 124.72 87.82 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.96 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo . . . . . 0 C--N 1.349 0.575 0 C-N-CA 122.427 2.085 . . . . 0.0 112.617 -179.799 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo . . . . . 0 C--O 1.231 0.17 0 CA-C-O 120.754 0.231 . . . . 0.0 112.262 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 77.4 p -69.46 121.33 16.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.963 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -92.12 154.29 18.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.146 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -146.46 129.11 16.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.755 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -151.2 159.95 28.44 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.587 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.54 ' HB3' ' HG2' ' A' ' 39' ' ' ARG . 90.3 m95 -74.84 135.25 41.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.69 0.281 . . . . 0.0 110.71 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.538 HG11 HD11 ' A' ' 23' ' ' LEU . 34.6 m -135.4 162.39 37.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.378 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 58.5 p -83.44 113.47 46.91 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.69 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.13 -7.99 22.37 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.274 1.982 . . . . 0.0 112.521 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.99 -40.36 87.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.259 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -93.14 13.66 20.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.956 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.8 mp -106.86 143.36 35.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.164 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -124.72 119.43 28.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.534 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.439 ' N ' ' HD3' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -55.14 136.92 47.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.002 -179.809 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 -142.91 127.55 18.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.459 ' N ' HD12 ' A' ' 66' ' ' LEU . 4.9 mp . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.757 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.58 0.229 . . . . 0.0 110.805 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -122.12 106.61 11.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.857 0.36 . . . . 0.0 111.58 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.646 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 25.3 mt -84.36 115.11 25.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.371 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -94.52 140.35 29.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.372 179.57 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -101.58 135.91 35.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.128 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.413 HG21 ' HB3' ' A' ' 23' ' ' LEU . 47.5 t -86.75 111.17 21.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.875 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.424 ' HA ' ' HG3' ' A' ' 25' ' ' GLU . 69.2 p -119.47 17.05 12.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.346 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -127.29 -4.91 6.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.36 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.415 ' HB2' ' HB2' ' A' ' 25' ' ' GLU . 18.4 t70 60.82 97.73 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.013 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -98.23 90.26 4.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.837 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 tt -115.69 104.72 52.66 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.606 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -59.37 150.3 75.8 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.556 2.171 . . . . 0.0 112.437 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.423 HD12 ' N ' ' A' ' 14' ' ' LEU . 5.2 mp -119.82 97.39 5.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 120.08 -115.49 2.99 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.625 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -113.92 125.46 54.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.797 0.332 . . . . 0.0 111.023 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -82.32 136.15 35.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.052 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -111.77 98.9 7.72 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.598 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 56.62 22.3 6.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.047 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -111.31 172.08 7.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.219 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.5 tt -132.94 142.51 42.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 52.3 m -73.36 128.41 35.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.214 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.413 ' HB3' HG21 ' A' ' 7' ' ' VAL . 95.4 mt -129.77 121.9 27.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.761 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.422 ' N ' ' HD3' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -91.73 144.24 25.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.809 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.424 ' HG3' ' HA ' ' A' ' 8' ' ' THR . 33.0 tt0 -58.39 105.88 0.33 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.827 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 126.49 11.56 3.68 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.259 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -101.32 151.94 21.29 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 120.873 0.368 . . . . 0.0 110.992 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.415 ' HB2' ' HZ1' ' A' ' 45' ' ' LYS . 39.5 m-85 -116.56 140.25 49.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.422 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 43' ' ' ARG . 2.2 p -159.36 122.65 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.894 0.378 . . . . 0.0 111.961 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.646 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 10.1 pt-20 -76.52 153.0 35.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.859 178.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.706 ' HA ' HG12 ' A' ' 42' ' ' VAL . 11.6 p -89.06 142.72 12.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.244 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.534 HD21 ' HD2' ' A' ' 43' ' ' ARG . 75.6 mt -98.57 -60.27 1.58 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.227 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -71.65 -75.17 0.13 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.396 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.34 91.05 0.06 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.014 -179.592 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -160.67 -64.05 0.06 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.213 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 57.5 m80 -92.67 113.4 59.46 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.006 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -48.86 -24.19 6.81 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 122.668 2.245 . . . . 0.0 112.767 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -52.63 -65.93 0.47 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.203 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -148.43 133.99 18.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.117 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 26.4 m0 -116.84 147.28 42.27 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.449 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 49.2 tp -86.41 120.29 27.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.194 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.706 HG12 ' HA ' ' A' ' 31' ' ' VAL . 14.6 m -135.71 150.84 28.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.658 -179.148 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.534 ' HD2' HD21 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -133.44 130.09 38.17 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.185 179.071 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.432 HG22 ' HB ' ' A' ' 29' ' ' VAL . 28.6 p -74.72 160.85 30.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.293 -179.44 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.415 ' HZ1' ' HB2' ' A' ' 28' ' ' TYR . 32.7 mtmm -73.01 133.42 81.8 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.063 -179.743 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo . . . . . 0 C--N 1.348 0.523 0 C-N-CA 122.588 2.192 . . . . 0.0 112.684 -179.866 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo . . . . . 0 C--O 1.231 0.143 0 CA-C-O 120.787 0.245 . . . . 0.0 112.286 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.9 m -76.0 123.92 26.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.063 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 88.2 mtt180 -111.63 136.56 50.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -119.82 129.93 54.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -147.38 143.08 10.84 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.553 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 40.1 m95 -76.85 119.5 20.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.771 0.319 . . . . 0.0 110.877 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 31.6 m -128.13 169.41 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 53.9 m -84.5 112.46 42.16 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.809 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.457 ' HA ' HD22 ' A' ' 62' ' ' LEU . 61.7 Cg_endo -72.62 -1.15 9.89 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.284 1.989 . . . . 0.0 112.466 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.77 -29.72 70.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.102 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -98.24 13.64 30.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.633 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.457 HD22 ' HA ' ' A' ' 59' ' ' PRO . 5.7 mp -105.86 165.68 11.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.114 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -121.96 140.38 52.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.841 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 51.9 ttp180 -80.39 118.51 22.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.289 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 69.6 mtp180 -136.33 149.53 48.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.571 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 91.7 mt . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.24 -179.744 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.747 0.308 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -122.2 110.2 15.43 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.85 0.357 . . . . 0.0 111.606 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.643 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 41.8 mt -84.41 135.52 24.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.281 179.625 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -120.35 131.94 55.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.538 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.1 p -93.22 141.48 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.171 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.5 t -94.24 123.52 46.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.785 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.409 ' HA ' ' HG3' ' A' ' 25' ' ' GLU . 70.8 p -130.1 14.76 5.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.403 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -122.2 3.09 9.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.289 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.8 t70 52.9 68.98 0.75 Allowed 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.785 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -86.21 95.84 9.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.929 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.495 HD12 ' HD2' ' A' ' 13' ' ' PRO . 47.6 tp -109.29 123.23 37.31 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.788 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.495 ' HD2' HD12 ' A' ' 12' ' ' LEU . 45.0 Cg_exo -58.14 147.24 84.54 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.408 2.072 . . . . 0.0 112.292 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.446 HD12 ' N ' ' A' ' 14' ' ' LEU . 4.6 mp -95.98 96.04 8.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.471 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.38 -175.03 42.3 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.34 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.94 105.65 17.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.819 0.342 . . . . 0.0 111.081 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -110.06 149.0 30.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.782 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -79.71 145.01 33.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.039 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 58.77 23.21 10.93 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.0 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -107.91 162.52 13.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.344 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.9 tt -141.07 140.77 32.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.795 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.0 p -84.58 128.72 34.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.365 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.531 HD11 HG11 ' A' ' 57' ' ' VAL . 32.7 mt -109.91 163.99 13.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.993 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -134.08 133.28 40.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.721 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.409 ' HG3' ' HA ' ' A' ' 8' ' ' THR . 36.7 tt0 -61.72 101.12 0.17 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.744 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.82 11.17 4.51 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.344 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -101.37 162.01 13.21 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 120.889 0.376 . . . . 0.0 111.206 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.445 ' HB3' HG21 ' A' ' 4' ' ' ILE . 66.0 m-85 -123.6 141.42 52.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.619 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.408 HG22 ' HB ' ' A' ' 42' ' ' VAL . 2.6 p -159.27 123.79 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.041 0.448 . . . . 0.0 112.178 -179.641 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.643 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 9.9 pt-20 -76.56 153.44 35.38 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.722 178.6 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.598 HG21 ' HB2' ' A' ' 34' ' ' ALA . 13.7 p -90.13 144.33 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.107 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.3 mt -105.2 -72.92 0.69 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.961 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.585 ' HB3' ' HB3' ' A' ' 41' ' ' LEU . 18.2 t70 -83.47 -79.57 0.2 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.917 -178.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.598 ' HB2' HG21 ' A' ' 31' ' ' VAL . . . 62.3 102.35 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.708 -179.112 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -125.25 -62.6 1.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.351 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.439 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 45.7 m-70 -96.09 139.95 22.02 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 -179.655 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 36' ' ' HIS . 50.7 Cg_exo -58.17 -21.06 49.56 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.842 2.361 . . . . 0.0 112.529 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -58.16 -55.84 29.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.774 -179.898 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.2 ptt180 -144.6 139.95 28.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.965 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 36.8 m0 -113.91 139.62 49.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.725 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.585 ' HB3' ' HB3' ' A' ' 33' ' ' ASP . 57.2 tp -84.74 126.83 33.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.468 179.671 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.563 HG12 ' HA ' ' A' ' 31' ' ' VAL . 22.6 m -136.28 164.52 31.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.993 0.425 . . . . 0.0 111.573 -179.662 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -141.98 112.03 6.88 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.267 179.385 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.3 p -57.89 150.07 21.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.007 0.432 . . . . 0.0 111.65 -179.126 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? -74.58 136.37 74.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.9 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo . . . . . 0 C--N 1.348 0.505 0 C-N-CA 122.537 2.158 . . . . 0.0 112.446 179.897 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo . . . . . 0 C--O 1.231 0.159 0 CA-C-O 120.788 0.245 . . . . 0.0 112.169 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.9 t -74.58 129.56 37.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.988 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 -110.57 137.4 48.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.054 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.536 ' HG2' HD11 ' A' ' 41' ' ' LEU . 17.0 tt0 -118.99 126.33 51.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.507 179.715 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -152.56 163.45 30.34 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.889 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 71.7 m95 -86.08 136.79 33.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.636 0.255 . . . . 0.0 110.409 179.369 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.531 HG11 HD11 ' A' ' 23' ' ' LEU . 29.4 m -137.67 172.32 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.868 0.366 . . . . 0.0 111.578 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.5 p -92.93 122.53 63.55 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.757 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.78 -10.39 19.95 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.402 2.068 . . . . 0.0 112.71 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.07 -27.04 68.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.333 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -106.32 17.11 23.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.1 mp -111.12 138.65 47.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.11 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -106.71 127.29 53.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.735 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 30.8 ttm180 -62.77 120.5 11.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -139.09 115.31 10.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.662 ' H ' HD23 ' A' ' 66' ' ' LEU . 1.6 pt? . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.505 ' HB3' ' HB2' ' A' ' 30' ' ' GLU . 32.7 m-85 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.65 0.262 . . . . 0.0 110.688 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -122.28 111.03 16.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.28 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.614 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 35.8 mt -84.64 112.71 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.098 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -94.99 145.2 25.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.007 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.2 p -110.71 135.34 50.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.119 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.0 t -78.73 116.72 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.93 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.412 ' HA ' ' HG3' ' A' ' 25' ' ' GLU . 76.7 p -120.79 14.24 11.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.206 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -132.82 3.73 3.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.115 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.7 t70 56.33 90.44 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -89.34 93.24 9.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.948 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tt -104.87 107.15 57.81 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.507 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -58.32 124.22 15.37 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.359 2.039 . . . . 0.0 112.413 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 80.3 mt -77.33 95.23 4.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.907 0.384 . . . . 0.0 110.213 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 100.1 -166.22 19.97 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.837 -0.696 . . . . 0.0 112.442 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.41 104.03 13.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.723 0.297 . . . . 0.0 110.982 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -105.11 144.79 31.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.001 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -72.43 146.02 47.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.952 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 60.42 14.15 4.56 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.203 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -103.43 153.2 20.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.168 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.4 tt -130.29 142.88 42.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.948 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 82.1 p -86.57 135.46 33.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.192 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.6 mt -128.65 158.73 37.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.408 ' N ' ' HD3' ' A' ' 24' ' ' ARG . 0.2 OUTLIER -126.16 144.91 50.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.734 179.815 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.412 ' HG3' ' HA ' ' A' ' 8' ' ' THR . 36.3 tt0 -61.65 106.21 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 126.6 12.88 3.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.47 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -101.3 167.54 10.12 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 120.779 0.323 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -129.96 137.34 50.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.838 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.7 p -159.79 123.52 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.79 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.614 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 10.9 pt-20 -76.29 153.61 35.78 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.226 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.644 ' HA ' HG12 ' A' ' 42' ' ' VAL . 10.2 p -90.5 143.91 10.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.4 HD11 ' HD3' ' A' ' 43' ' ' ARG . 71.7 mt -102.12 -78.75 0.53 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.997 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -100.58 132.18 46.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.96 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -131.56 123.85 28.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.072 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -153.4 -60.09 0.14 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.089 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -91.73 119.9 68.27 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -53.81 -24.01 29.2 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.704 2.27 . . . . 0.0 112.57 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.2 -62.78 1.52 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.285 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -142.8 143.48 32.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.877 0.37 . . . . 0.0 111.389 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 40.0 m0 -121.27 151.62 39.82 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.893 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 67.4 tp -82.87 118.08 23.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.47 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.644 HG12 ' HA ' ' A' ' 31' ' ' VAL . 22.6 m -133.28 148.96 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 0.0 111.483 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.4 ' HD3' HD11 ' A' ' 32' ' ' LEU . 34.7 ptt180 -131.14 123.61 28.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.995 0.426 . . . . 0.0 110.271 179.395 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.4 p -70.55 148.55 48.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.338 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.481 ' HB3' ' NZ ' ' A' ' 45' ' ' LYS . 7.3 mtpm? -67.37 114.52 19.45 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.429 ' HG3' ' HB3' ' A' ' 52' ' ' SER . 49.1 Cg_endo . . . . . 0 C--N 1.348 0.513 0 C-N-CA 122.382 2.054 . . . . 0.0 112.16 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo . . . . . 0 C--O 1.231 0.142 0 CA-C-O 120.78 0.242 . . . . 0.0 112.093 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.429 ' HB3' ' HG3' ' A' ' 46' ' ' PRO . 86.3 p -75.69 118.62 18.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -118.37 156.66 28.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.633 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -144.87 134.66 23.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.997 0.427 . . . . 0.0 111.324 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -149.52 152.2 24.2 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.058 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 55.6 m95 -73.92 131.85 41.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.841 0.353 . . . . 0.0 110.98 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.0 m -127.56 167.57 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.096 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 63.1 m -98.69 114.09 65.03 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.813 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -68.98 -7.11 19.91 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.327 2.018 . . . . 0.0 112.494 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.86 -4.72 42.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.221 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -124.9 1.55 8.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.738 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.6 mp -110.14 147.3 33.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.206 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -105.08 146.33 29.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.77 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 49.3 ttp180 -79.52 120.95 24.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.16 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 60.7 ttt180 -140.9 111.92 7.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.026 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.543 HD13 ' H ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.726 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.477 ' HB3' ' HB2' ' A' ' 30' ' ' GLU . 39.4 m-85 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.697 0.284 . . . . 0.0 110.679 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -121.83 113.02 19.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.395 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.61 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 52.1 mt -84.37 110.96 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.787 179.621 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -94.62 144.6 25.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.702 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -104.3 139.17 26.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.258 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 62.3 t -93.41 110.47 23.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.067 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.1 p -117.61 21.37 13.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.059 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -121.8 8.36 9.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.134 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.4 t70 53.65 67.84 0.94 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.723 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -79.64 95.45 5.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.769 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 65.2 tp -113.38 113.78 48.27 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -58.57 150.25 70.42 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.484 2.123 . . . . 0.0 112.516 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.01 95.05 10.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.18 0.514 . . . . 0.0 110.652 179.261 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.87 -122.07 18.43 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.541 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -103.49 108.84 20.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.708 0.289 . . . . 0.0 110.997 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -116.61 121.89 43.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.812 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -66.32 147.56 53.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.023 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 58.12 23.34 10.03 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.13 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -121.18 155.03 35.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.169 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.8 tt -127.63 138.22 55.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.6 t -58.4 135.6 57.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.98 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.9 mt -144.77 156.32 43.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.212 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.4 mtm180 -140.31 154.76 46.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.856 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -63.48 97.33 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.651 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 129.24 19.74 1.51 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.388 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -101.52 147.4 26.43 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 120.751 0.31 . . . . 0.0 110.826 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -117.98 137.63 52.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.686 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.468 HG22 ' HB ' ' A' ' 42' ' ' VAL . 3.1 p -159.2 124.4 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 112.038 -179.296 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.61 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 11.4 pt-20 -74.31 153.52 39.31 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.861 178.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.512 ' HA ' HG12 ' A' ' 42' ' ' VAL . 13.4 p -96.17 135.17 31.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.291 -179.746 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 80.6 mt -91.38 -67.36 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.842 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -105.68 145.36 31.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.023 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -110.8 16.87 21.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.034 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.06 130.59 47.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.303 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 61.23 104.6 0.03 OUTLIER Pre-proline 0 CA--C 1.532 0.274 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.953 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -54.22 -23.27 29.08 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.737 2.291 . . . . 0.0 112.926 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 56.4 tp -55.24 -55.54 30.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.046 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -139.48 125.97 20.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.973 0.416 . . . . 0.0 111.04 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 44.3 m0 -102.85 144.21 31.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.171 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 64.4 tp -80.27 133.35 35.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.105 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.512 HG12 ' HA ' ' A' ' 31' ' ' VAL . 32.9 m -134.29 161.2 41.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.039 0.447 . . . . 0.0 111.891 -179.323 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.417 ' C ' HG23 ' A' ' 29' ' ' VAL . 35.9 ttp180 -140.44 111.68 7.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.388 179.673 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.43 ' HA ' HG23 ' A' ' 29' ' ' VAL . 46.8 p -58.21 140.91 52.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.498 -179.309 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -76.42 125.23 87.82 Favored Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.915 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo . . . . . 0 C--N 1.349 0.586 0 C-N-CA 122.361 2.041 . . . . 0.0 112.378 179.912 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--O 1.23 0.114 0 CA-C-O 120.794 0.247 . . . . 0.0 112.242 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 83.3 p -71.14 150.01 45.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -132.43 147.23 52.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.148 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -123.65 129.37 51.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.787 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -151.14 155.14 25.98 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.477 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 55.9 m95 -88.62 121.66 31.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.675 0.274 . . . . 0.0 110.722 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.3 t -123.95 157.75 30.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.166 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.461 ' O ' HD13 ' A' ' 62' ' ' LEU . 51.8 m -79.47 119.97 78.74 Favored Pre-proline 0 CA--C 1.53 0.209 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.773 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -70.16 -15.6 35.64 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.504 2.136 . . . . 0.0 112.203 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.81 -41.67 82.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.985 -179.54 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -96.47 16.33 18.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.583 -179.255 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.461 HD13 ' O ' ' A' ' 58' ' ' SER . 6.5 mp -104.65 153.59 21.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.061 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -126.9 121.05 30.68 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.846 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.594 ' H ' ' HD3' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -57.36 142.62 42.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -139.19 114.86 9.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.061 -179.886 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.925 0.393 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.461 ' O ' ' HA ' ' A' ' 30' ' ' GLU . 10.2 m-20 -91.54 111.65 23.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.008 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.575 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 42.5 mt -84.19 116.58 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.332 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -94.53 144.09 25.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.507 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -104.89 125.93 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.987 0.422 . . . . 0.0 111.027 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.538 ' HB ' ' H ' ' A' ' 26' ' ' GLY . 61.8 t -78.02 124.67 36.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.65 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 60.9 p -117.96 21.11 13.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.297 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.46 ' O ' ' HB2' ' A' ' 10' ' ' ASP . . . -127.93 -71.83 0.64 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.342 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.46 ' HB2' ' O ' ' A' ' 9' ' ' ALA . 18.2 t70 165.74 -64.5 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.217 -179.305 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 38.7 t80 59.92 79.21 0.24 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.322 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.428 HD12 HG23 ' A' ' 22' ' ' THR . 45.0 tp -118.02 123.81 29.23 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.591 179.456 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.412 ' HD2' HD12 ' A' ' 12' ' ' LEU . 31.7 Cg_exo -59.38 127.26 23.25 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 122.155 1.903 . . . . 0.0 112.23 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.3 mt -96.77 96.6 8.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.608 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.26 -154.14 16.67 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.253 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -103.03 97.92 7.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.794 0.33 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -125.28 108.17 11.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.414 ' O ' ' HB3' ' A' ' 19' ' ' ASP . 85.9 mm-40 -94.98 97.13 9.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.653 179.718 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.414 ' HB3' ' O ' ' A' ' 18' ' ' GLN . 4.8 p-10 170.18 -35.22 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.031 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -96.7 162.18 13.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.004 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 10.4 tt -110.82 125.1 68.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.428 HG23 HD12 ' A' ' 12' ' ' LEU . 37.7 m -61.44 112.26 2.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.179 -179.763 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 78.4 mt -110.01 166.14 11.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.962 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -128.04 147.95 50.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.595 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -55.29 96.96 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.538 ' H ' ' HB ' ' A' ' 7' ' ' VAL . . . 116.07 31.59 1.86 Allowed Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.873 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -101.71 144.38 30.49 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 120.736 0.303 . . . . 0.0 111.174 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -103.54 131.04 51.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.615 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.5 HG22 ' HB ' ' A' ' 42' ' ' VAL . 2.6 p -159.51 124.1 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.515 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.575 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 1.4 pm0 -79.95 153.29 29.04 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.283 179.447 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.67 ' HA ' HG12 ' A' ' 42' ' ' VAL . 14.9 p -86.73 144.39 9.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.259 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 82.0 mt -104.86 -68.23 0.87 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.179 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -57.9 -74.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.413 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 58.75 78.92 0.23 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -169.7 -36.75 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.169 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -86.4 112.19 44.46 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.933 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_exo -55.36 -25.07 46.01 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.475 2.117 . . . . 0.0 112.571 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 66.3 mt -67.76 -72.17 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.428 ' HD3' ' HB3' ' A' ' 56' ' ' TRP . 17.7 ptp180 -141.81 148.98 39.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.812 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 20.2 m0 -115.67 146.47 41.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.419 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 23.9 tp -84.29 117.23 23.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.23 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.67 HG12 ' HA ' ' A' ' 31' ' ' VAL . 16.0 m -124.52 151.94 30.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.582 -179.359 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.435 ' C ' HG23 ' A' ' 29' ' ' VAL . 22.3 ptt180 -132.75 127.83 35.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.462 179.353 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.416 HG22 ' HB ' ' A' ' 29' ' ' VAL . 44.7 p -72.8 154.41 40.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.852 0.358 . . . . 0.0 111.196 -179.662 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -71.84 140.04 83.42 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.965 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo . . . . . 0 C--N 1.349 0.592 0 C-N-CA 122.445 2.096 . . . . 0.0 112.392 179.787 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.774 0.239 . . . . 0.0 112.114 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.7 p -68.67 113.74 6.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.191 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 58.9 mtm180 -91.87 160.7 15.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.684 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -149.65 131.58 15.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.968 0.413 . . . . 0.0 111.12 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -150.62 160.98 28.84 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.503 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.428 ' HB3' ' HD3' ' A' ' 39' ' ' ARG . 75.4 m95 -77.77 134.7 37.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.781 0.324 . . . . 0.0 110.956 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.2 m -132.65 166.2 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.237 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 52.5 m -98.93 113.48 64.6 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.697 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.483 ' HA ' ' HB2' ' A' ' 62' ' ' LEU . 32.9 Cg_endo -64.08 -6.95 12.32 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.351 2.034 . . . . 0.0 112.562 -179.662 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.61 -15.08 63.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.075 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -124.38 14.41 8.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.483 ' HB2' ' HA ' ' A' ' 59' ' ' PRO . 10.6 mp -113.74 142.99 45.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.092 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -124.09 119.08 28.44 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.804 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 36.1 ptt180 -62.51 139.83 58.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.046 0.451 . . . . 0.0 111.164 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 -144.05 132.95 22.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.852 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.436 ' N ' HD12 ' A' ' 66' ' ' LEU . 6.0 mp . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.554 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.533 ' HB2' ' HB2' ' A' ' 30' ' ' GLU . 57.8 m-85 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.802 0.334 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -85.11 102.05 12.94 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.625 -179.379 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.672 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 17.8 mt -84.64 135.2 25.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.224 179.547 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.413 ' HB2' HD23 ' A' ' 62' ' ' LEU . 64.1 m-85 -110.28 159.7 17.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.575 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.7 p -113.84 131.15 66.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.022 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.646 HG21 ' HG3' ' A' ' 27' ' ' GLN . 2.8 t -77.61 130.7 35.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.5 p -139.55 18.09 2.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.636 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -136.58 -0.9 2.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.692 0.282 . . . . 0.0 111.425 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.1 t70 58.17 92.28 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -93.83 85.93 4.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.016 0.436 . . . . 0.0 110.346 179.676 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.7 tp -111.46 110.8 55.38 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.774 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -58.58 146.62 90.56 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.177 1.918 . . . . 0.0 112.108 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.625 HD23 ' H ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -95.92 95.66 8.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.115 0.483 . . . . 0.0 110.519 179.628 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.42 -120.23 5.09 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.541 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -110.41 105.38 14.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.761 0.315 . . . . 0.0 111.22 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.408 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 8.9 tp10 -99.37 141.27 32.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.659 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -78.17 123.17 26.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.015 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 54.16 62.57 2.52 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.991 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.408 ' HB3' ' HB3' ' A' ' 17' ' ' GLU . . . -142.27 167.6 21.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.214 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 12.3 tt -136.32 133.2 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.878 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 65.5 m -67.98 130.09 41.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.459 HD22 ' NE2' ' A' ' 27' ' ' GLN . 23.7 mt -134.77 169.24 17.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.268 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.9 mtp180 -134.6 145.76 48.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.952 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -66.69 106.04 1.72 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.557 ' H ' ' HB ' ' A' ' 7' ' ' VAL . . . 129.38 8.75 3.5 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.901 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.646 ' HG3' HG21 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -103.74 166.75 10.23 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.958 0.408 . . . . 0.0 111.065 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.431 ' HB3' ' CG2' ' A' ' 4' ' ' ILE . 24.4 m-85 -120.76 143.2 48.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.662 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.427 HG22 ' HB ' ' A' ' 42' ' ' VAL . 2.7 p -155.87 123.26 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-O 121.005 0.431 . . . . 0.0 111.844 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.672 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 11.9 pt-20 -77.29 153.76 33.59 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.37 179.292 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.646 ' HA ' HG12 ' A' ' 42' ' ' VAL . 13.9 p -94.38 144.35 9.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.045 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.421 HD21 ' HG2' ' A' ' 43' ' ' ARG . 66.9 mt -102.2 -81.4 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.317 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.473 ' OD2' ' HB3' ' A' ' 35' ' ' ALA . 29.2 t0 -62.02 -53.39 56.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.321 -179.454 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 60.73 23.25 13.15 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.612 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.473 ' HB3' ' OD2' ' A' ' 33' ' ' ASP . . . -99.57 156.09 17.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.149 179.771 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 64.9 108.96 0.03 OUTLIER Pre-proline 0 CA--C 1.531 0.243 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.991 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -52.59 -24.73 23.47 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 122.851 2.367 . . . . 0.0 112.858 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 50.4 tp -54.24 -71.14 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.977 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -140.24 143.58 36.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.791 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 35.2 m0 -110.44 142.95 41.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.488 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 42.4 tp -80.22 123.79 28.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.773 178.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.646 HG12 ' HA ' ' A' ' 31' ' ' VAL . 16.8 m -134.67 155.18 38.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.124 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.548 ' HB3' ' HB3' ' A' ' 54' ' ' GLN . 6.6 ptp180 -130.18 121.86 27.05 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.197 178.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.2 p -65.44 146.58 54.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.948 0.404 . . . . 0.0 111.323 -179.408 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -71.88 126.07 91.46 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.125 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo . . . . . 0 C--N 1.349 0.576 0 C-N-CA 122.258 1.972 . . . . 0.0 112.11 179.606 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo . . . . . 0 C--O 1.231 0.163 0 CA-C-O 120.784 0.243 . . . . 0.0 112.184 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.3 p -71.31 134.84 47.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.055 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 31.4 mmm180 -109.81 158.63 17.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.803 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.548 ' HB3' ' HB3' ' A' ' 43' ' ' ARG . 12.3 pt20 -140.83 131.16 25.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.048 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -149.44 158.88 27.84 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.543 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 36.7 m95 -79.97 120.16 23.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.802 0.335 . . . . 0.0 110.67 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.7 m -119.17 171.84 6.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.299 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.7 m -93.18 108.18 30.95 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.787 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.2 -1.89 9.58 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.376 2.051 . . . . 0.0 112.344 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.47 -13.75 62.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.202 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -117.59 -0.68 11.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.058 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.413 HD23 ' HB2' ' A' ' 5' ' ' TYR . 6.0 mp -102.3 141.37 35.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.226 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -104.87 133.09 50.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.793 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -74.55 115.03 13.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.037 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 27.8 mmm180 -138.29 115.89 11.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.785 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 68.4 tp . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.041 179.93 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.521 ' HB3' ' HB2' ' A' ' 30' ' ' GLU . 3.5 m-85 . . . . . 0 CA--C 1.528 0.109 0 CA-C-O 120.718 0.294 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -104.39 106.59 17.14 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.23 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.653 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 63.6 mt -83.96 116.63 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.089 0.471 . . . . 0.0 111.55 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -97.35 126.91 42.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.619 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -91.26 136.03 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.001 0.429 . . . . 0.0 111.352 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 48.6 t -86.93 125.03 40.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.709 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.438 ' HA ' ' HG3' ' A' ' 25' ' ' GLU . 71.8 p -136.71 18.55 3.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.364 -179.684 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -125.09 8.37 7.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.289 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.43 ' HA ' ' HB2' ' A' ' 25' ' ' GLU . 19.6 t70 56.38 90.24 0.04 OUTLIER 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.786 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.404 ' C ' HD12 ' A' ' 12' ' ' LEU . 50.6 t80 -105.58 92.7 4.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.412 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 10.4 mp -117.39 133.46 23.22 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 12' ' ' LEU . 36.8 Cg_exo -61.04 134.99 56.11 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.369 2.046 . . . . 0.0 112.266 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.526 ' O ' HD12 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -97.55 96.37 8.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.08 0.467 . . . . 0.0 110.856 179.466 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.13 -107.31 2.68 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.381 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -123.22 102.23 7.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.753 0.311 . . . . 0.0 111.165 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -105.9 153.51 21.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.644 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.0 mp0 -88.78 140.18 29.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.349 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 40.27 39.58 0.69 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.85 179.605 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -110.25 132.28 54.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.898 0.38 . . . . 0.0 111.197 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.446 ' HB ' ' HA3' ' A' ' 55' ' ' GLY . 14.0 tt -102.47 142.75 16.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.008 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 82.1 p -68.31 112.6 5.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.8 mt -123.84 148.63 46.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.017 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -119.65 147.07 44.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.701 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.438 ' HG3' ' HA ' ' A' ' 8' ' ' THR . 41.8 tt0 -63.03 104.09 0.53 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.057 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 126.67 17.15 2.38 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.411 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -101.22 168.01 9.84 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 120.843 0.354 . . . . 0.0 111.209 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.448 ' HB3' HG21 ' A' ' 4' ' ' ILE . 44.8 m-85 -130.43 138.76 50.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.844 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.445 ' N ' HG23 ' A' ' 4' ' ' ILE . 3.3 p -159.18 123.71 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-O 120.939 0.4 . . . . 0.0 112.029 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.653 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 12.0 pt-20 -74.6 153.9 38.8 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.272 179.166 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.697 ' HA ' HG12 ' A' ' 42' ' ' VAL . 13.6 p -92.47 144.93 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.095 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.432 HD11 ' HG2' ' A' ' 43' ' ' ARG . 47.1 mt -108.55 -79.25 0.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.77 -179.298 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -64.38 -72.54 0.14 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.89 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.421 ' HB2' HG21 ' A' ' 31' ' ' VAL . . . 63.19 92.74 0.06 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.376 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -150.65 -73.13 0.16 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.305 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -61.84 116.44 21.18 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.677 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -50.05 -27.24 16.32 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.815 2.344 . . . . 0.0 112.907 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 45.1 tp -61.16 -62.13 2.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.258 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -145.68 153.79 41.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.981 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 39.8 m0 -120.68 149.43 42.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.3 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 36.0 tp -80.77 118.84 22.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.364 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.697 HG12 ' HA ' ' A' ' 31' ' ' VAL . 9.8 m -135.49 143.07 37.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.53 -179.515 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.447 ' HG3' ' O ' ' A' ' 43' ' ' ARG . 4.5 ptp180 -118.45 125.34 49.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.187 179.362 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 57.5 p -67.45 135.08 52.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.866 0.365 . . . . 0.0 111.114 -179.538 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -62.89 140.18 97.41 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.75 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo . . . . . 0 N--CA 1.457 -0.642 0 C-N-CA 122.715 2.276 . . . . 0.0 112.448 -179.785 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo . . . . . 0 C--O 1.231 0.142 0 CA-C-O 120.818 0.258 . . . . 0.0 112.207 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.3 p -93.48 132.97 37.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.097 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -126.21 156.61 39.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.844 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -127.79 128.75 45.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.273 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.446 ' HA3' ' HB ' ' A' ' 21' ' ' ILE . . . -140.68 145.32 16.0 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 121.032 -0.604 . . . . 0.0 112.238 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 61.5 m95 -75.15 118.22 17.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.772 0.32 . . . . 0.0 110.796 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.513 HG12 ' H ' ' A' ' 58' ' ' SER . 1.9 t -112.38 168.94 4.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -179.758 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.513 ' H ' HG12 ' A' ' 57' ' ' VAL . 49.9 m -96.91 104.25 17.91 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.736 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 58' ' ' SER . 29.3 Cg_endo -63.86 -7.62 13.63 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.392 2.061 . . . . 0.0 112.538 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.37 -1.9 25.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.997 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -132.24 13.7 4.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.981 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.443 ' HA ' HD13 ' A' ' 62' ' ' LEU . 2.3 mm? -100.85 179.36 4.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.154 0.502 . . . . 0.0 111.661 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -145.66 144.51 30.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.236 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -70.89 125.67 27.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.974 0.416 . . . . 0.0 111.196 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -141.23 114.96 9.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.377 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.207 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 20.4 mm . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.902 0.382 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -91.22 174.64 7.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.643 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -122.32 110.23 15.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.864 0.364 . . . . 0.0 111.623 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.564 HG12 ' HB3' ' A' ' 30' ' ' GLU . 42.9 mt -85.41 114.46 25.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.108 179.436 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -97.77 158.82 15.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.695 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -124.63 141.29 45.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.47 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.8 t -85.87 108.72 17.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.821 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.7 p -109.67 17.56 21.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.479 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -141.89 12.27 2.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.395 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.2 t70 63.78 152.91 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.962 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -151.0 93.6 1.95 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.888 0.375 . . . . 0.0 110.972 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.548 HD21 HH11 ' A' ' 24' ' ' ARG . 95.0 mt -116.27 109.31 44.49 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.913 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -57.89 120.12 7.81 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.423 2.082 . . . . 0.0 112.45 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 83.8 mt -87.6 96.6 10.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.634 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.17 -138.72 14.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.422 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -118.12 108.94 15.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.779 0.323 . . . . 0.0 111.163 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -108.92 126.41 53.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.624 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -82.5 142.07 32.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.962 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 61.34 24.22 14.36 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.09 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -112.75 158.79 19.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.271 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.452 ' HB ' ' HA3' ' A' ' 55' ' ' GLY . 17.4 tt -130.47 144.65 37.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.873 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 78.2 p -77.95 149.98 34.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.022 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.496 HD11 HG11 ' A' ' 57' ' ' VAL . 55.8 mt -145.77 152.63 39.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.237 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.548 HH11 HD21 ' A' ' 12' ' ' LEU . 29.0 mmm180 -119.24 138.96 52.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.654 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -57.22 99.83 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 126.21 20.82 1.95 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.243 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -101.02 161.35 13.66 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 120.76 0.314 . . . . 0.0 111.028 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -122.74 135.06 54.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.736 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.422 HG23 ' HA ' ' A' ' 44' ' ' THR . 3.0 p -159.54 123.49 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.975 0.417 . . . . 0.0 111.954 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.564 ' HB3' HG12 ' A' ' 4' ' ' ILE . 10.0 pt-20 -78.85 153.24 30.76 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.983 179.118 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.504 ' HA ' HG12 ' A' ' 42' ' ' VAL . 14.1 p -90.21 135.75 25.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.917 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 83.7 mt -85.7 -66.55 0.89 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.111 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -138.75 151.66 47.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.042 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -102.58 108.3 19.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.016 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -92.19 -77.91 0.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.297 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -113.39 145.17 32.72 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.972 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -56.68 -21.7 40.58 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.69 2.26 . . . . 0.0 112.259 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.456 ' N ' HD12 ' A' ' 38' ' ' LEU . 6.7 mp -68.86 -49.53 57.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.953 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.541 ' HE ' ' HB3' ' A' ' 56' ' ' TRP . 12.5 ptm180 -147.11 132.25 18.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 25.0 m0 -103.64 155.85 18.25 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.236 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 38.1 tp -79.4 126.24 30.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.636 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.504 HG12 ' HA ' ' A' ' 31' ' ' VAL . 29.5 m -138.49 154.32 27.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.314 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -141.57 116.97 10.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.77 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.422 ' HA ' HG23 ' A' ' 29' ' ' VAL . 65.1 p -58.79 154.69 14.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.196 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -91.61 132.11 34.21 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.973 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.92 149.12 32.68 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.313 2.009 . . . . 0.0 112.204 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.7 t -139.8 135.86 33.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.255 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? 65.04 -81.12 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.188 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 37.9 t -147.94 12.46 0.98 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.755 0.312 . . . . 0.0 111.184 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 54.4 m -81.14 120.51 78.76 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.976 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo -60.22 142.53 98.46 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.598 2.199 . . . . 0.0 112.352 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 77.8 p -82.1 126.08 31.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.996 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -109.65 148.1 31.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -123.58 127.14 47.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.128 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.452 ' HA3' ' HB ' ' A' ' 21' ' ' ILE . . . -151.76 151.76 23.62 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.325 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.541 ' HB3' ' HE ' ' A' ' 39' ' ' ARG . 78.0 m95 -77.42 135.79 38.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.634 0.255 . . . . 0.0 110.539 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.496 HG11 HD11 ' A' ' 23' ' ' LEU . 26.6 m -131.23 166.05 29.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.28 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 52.9 m -92.28 119.85 67.93 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.51 -3.67 13.87 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.415 2.077 . . . . 0.0 112.643 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.42 -5.03 42.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.105 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -128.04 6.8 6.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.6 mp -109.25 131.51 55.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.901 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -109.08 146.41 34.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.799 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 -62.39 126.81 28.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.843 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -142.25 136.75 30.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.815 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.6 pp -109.06 144.57 36.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.232 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.786 ' H ' ' HD3' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -88.59 163.38 15.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.832 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.9 tt . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.577 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 69.9 mt . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.78 0.324 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.502 ' HB3' ' HB2' ' A' ' 30' ' ' GLU . 86.0 m-85 -79.24 165.31 23.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -122.27 111.35 16.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.863 0.363 . . . . 0.0 111.447 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.638 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 45.6 mt -84.51 136.55 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -114.54 160.12 19.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.664 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.69 135.35 63.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.391 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.0 t -87.56 125.94 41.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.763 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.7 p -129.93 18.48 5.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.273 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -135.43 8.06 3.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.323 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.5 t70 57.14 90.34 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.755 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -103.54 98.55 8.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.027 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 pp -117.1 142.39 29.93 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.726 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.484 ' HD3' ' HA ' ' A' ' 22' ' ' THR . 39.8 Cg_exo -58.85 120.35 8.18 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.44 2.094 . . . . 0.0 112.404 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 86.3 mt -81.64 95.88 7.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.238 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 86.67 -122.3 6.07 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.173 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -127.24 102.33 6.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.815 0.341 . . . . 0.0 111.137 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -109.83 153.07 24.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -95.56 144.94 25.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.02 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 58.96 21.25 9.03 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.09 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -108.34 148.6 29.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.183 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.49 ' HB ' ' HA3' ' A' ' 55' ' ' GLY . 17.8 tt -121.94 147.72 25.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.835 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.484 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 45.6 m -83.79 115.67 22.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.378 -179.635 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 76.0 mt -110.03 154.89 22.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.721 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -118.68 143.62 46.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.688 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -61.38 101.89 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.771 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 120.0 17.62 4.51 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.332 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -101.33 144.02 30.67 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 120.784 0.326 . . . . 0.0 111.01 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.406 ' HB3' HG21 ' A' ' 4' ' ' ILE . 56.3 m-85 -108.89 139.31 43.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.682 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.484 HG23 ' C ' ' A' ' 43' ' ' ARG . 2.1 p -159.2 123.52 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.464 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.638 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 11.0 pt-20 -75.5 153.48 37.49 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.94 178.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.469 ' HA ' HG12 ' A' ' 42' ' ' VAL . 14.5 p -92.43 142.61 12.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.252 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 71.2 mt -106.08 -70.44 0.79 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.884 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -115.1 166.57 11.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -110.36 -61.61 1.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.941 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 59.76 -87.11 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.409 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -87.75 119.56 70.63 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.595 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -51.08 -28.44 24.96 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.714 2.276 . . . . 0.0 112.664 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.3 tt -72.53 -63.57 1.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.741 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -113.09 130.02 56.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 30.7 m0 -105.76 154.86 19.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.223 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 64.1 tp -80.33 130.95 35.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.426 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.469 HG12 ' HA ' ' A' ' 31' ' ' VAL . 27.1 m -135.01 155.42 38.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.922 0.391 . . . . 0.0 111.402 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.484 ' C ' HG23 ' A' ' 29' ' ' VAL . 42.3 ttp180 -136.97 111.73 8.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.63 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 65.2 p -53.54 121.98 8.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.338 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -64.94 116.93 34.08 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.689 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -79.83 173.41 12.89 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.47 2.114 . . . . 0.0 112.767 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.0 t -169.47 144.24 2.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.601 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.3 mttm 65.38 -79.91 0.03 OUTLIER 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.5 t -154.95 24.45 0.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.99 0.424 . . . . 0.0 110.535 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 45.0 m -80.71 119.83 77.32 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.978 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -60.69 129.24 28.49 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.64 2.227 . . . . 0.0 112.323 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.4 t -85.61 142.83 28.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.782 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -134.58 157.03 47.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.948 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -127.12 131.72 50.74 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.49 ' HA3' ' HB ' ' A' ' 21' ' ' ILE . . . -151.27 162.39 29.49 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.65 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 52.4 m95 -104.31 115.34 30.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.745 0.307 . . . . 0.0 110.711 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.5 m -130.45 166.76 27.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.253 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.1 m -84.54 115.12 59.08 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.02 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.41 ' HA ' HD22 ' A' ' 62' ' ' LEU . 58.5 Cg_endo -71.12 -2.44 11.12 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.385 2.057 . . . . 0.0 112.439 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.68 -37.87 85.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.041 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -90.89 8.0 37.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.721 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' A' ' 59' ' ' PRO . 4.9 mp -100.97 167.63 10.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.084 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -133.75 137.13 45.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.752 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 65.4 mtm180 -65.61 133.98 52.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.258 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 63.6 ttt-85 -137.4 126.83 24.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.664 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 98.7 mt -126.77 137.19 53.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.017 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt 60.25 -178.01 0.1 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.21 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 60.6 tp . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.291 -0.861 . . . . 0.0 110.812 179.975 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 23.8 pt . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.812 0.339 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 57.0 -166.65 0.13 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.086 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -118.17 102.92 9.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.391 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.638 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 37.5 mt -84.53 133.04 30.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.002 179.658 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -111.48 156.34 21.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.935 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.6 p -119.49 128.1 75.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.033 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.9 t -80.23 113.64 19.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.438 ' HA ' ' HG3' ' A' ' 25' ' ' GLU . 41.4 p -128.21 32.73 4.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.415 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -149.52 3.89 0.58 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.634 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 61.58 111.86 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.102 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -127.9 102.99 7.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.087 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 29.8 tp -117.26 122.25 31.33 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.808 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 12' ' ' LEU . 31.4 Cg_exo -59.4 138.6 85.23 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.381 2.054 . . . . 0.0 112.264 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.0 mt -106.63 96.6 6.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.698 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.35 -139.12 14.71 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.516 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -122.02 109.53 14.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.782 0.325 . . . . 0.0 111.093 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -112.23 115.3 28.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -76.22 148.38 37.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 57.91 20.16 6.45 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.314 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -105.64 170.59 7.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.821 0.343 . . . . 0.0 111.053 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 17.2 tt -137.5 137.36 45.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.948 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.1 t -71.56 147.17 47.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.067 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.47 HD11 HG11 ' A' ' 57' ' ' VAL . 96.0 mt -132.0 156.15 46.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.009 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 -137.35 139.98 41.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.732 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.438 ' HG3' ' HA ' ' A' ' 8' ' ' THR . 38.9 tt0 -59.04 103.98 0.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.08 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 127.32 4.7 5.8 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.698 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -101.45 155.59 17.97 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 120.866 0.365 . . . . 0.0 111.154 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -118.43 140.58 49.64 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.535 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.466 HG23 ' HA ' ' A' ' 44' ' ' THR . 2.4 p -159.04 123.89 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -179.496 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.638 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 9.5 pt-20 -74.96 153.23 38.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.054 178.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.523 ' HA ' HG12 ' A' ' 42' ' ' VAL . 14.8 p -94.94 144.66 9.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.219 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 93.1 mt -104.98 -71.42 0.74 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.529 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -60.72 -77.97 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.791 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.52 87.34 0.1 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.996 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -143.04 -73.86 0.28 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.326 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 71.6 m80 -84.25 125.02 73.29 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -51.79 -23.01 14.81 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.669 2.246 . . . . 0.0 112.56 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.27 -66.62 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.426 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.517 HH21 ' HB2' ' A' ' 56' ' ' TRP . 10.8 ptm180 -145.15 144.15 30.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.292 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 50.8 m0 -122.23 154.36 37.62 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.313 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 37.7 tp -92.07 102.1 14.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.133 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.523 HG12 ' HA ' ' A' ' 31' ' ' VAL . 33.2 m -107.43 151.51 9.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.488 -179.464 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.482 ' HE ' ' HG2' ' A' ' 54' ' ' GLN . 39.0 ttm180 -129.0 114.64 16.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.494 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.466 ' HA ' HG23 ' A' ' 29' ' ' VAL . 80.4 p -54.86 127.73 29.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.879 0.371 . . . . 0.0 111.233 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.464 ' NZ ' ' HB2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -74.55 122.06 86.65 Favored Pre-proline 0 CA--C 1.532 0.282 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.997 -179.801 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -81.14 -174.31 2.17 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.484 2.122 . . . . 0.0 112.448 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.3 t -139.08 -46.83 0.47 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.525 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.423 ' H ' ' H ' ' A' ' 49' ' ' SER . 5.4 ttpm? 179.2 -6.43 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.316 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.423 ' H ' ' H ' ' A' ' 48' ' ' LYS . 86.4 p -154.01 -8.74 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.177 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.427 ' HA ' ' HD2' ' A' ' 51' ' ' PRO . 47.6 t -82.23 112.41 35.76 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.798 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 50' ' ' SER . 20.6 Cg_endo -59.96 115.91 2.95 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.474 2.116 . . . . 0.0 112.186 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.3 p -84.27 117.96 23.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.096 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -126.34 151.06 48.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.555 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.482 ' HG2' ' HE ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -115.66 131.1 57.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.056 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -150.97 150.96 23.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.52 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.517 ' HB2' HH21 ' A' ' 39' ' ' ARG . 88.2 m95 -76.62 121.86 23.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.827 0.346 . . . . 0.0 110.904 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.47 HG11 HD11 ' A' ' 23' ' ' LEU . 30.9 m -131.27 171.81 17.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.206 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.0 p -95.78 118.22 66.04 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.829 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -73.23 -6.73 19.4 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.283 1.989 . . . . 0.0 112.312 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.88 -32.99 74.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.2 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -93.74 9.84 35.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.939 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.8 mp -113.56 148.04 36.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -111.21 133.61 53.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.725 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -60.06 130.79 48.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.935 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -136.85 107.14 6.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.736 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 88.4 mt -121.47 133.31 55.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.016 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -147.12 -9.59 0.44 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.213 -0.899 . . . . 0.0 111.02 -179.9 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 41.7 pt . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.785 0.326 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.524 ' HB2' ' HB2' ' A' ' 30' ' ' GLU . 59.2 m-85 -142.26 -164.92 1.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.963 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -98.15 107.13 19.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.797 0.332 . . . . 0.0 111.745 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.64 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 44.4 mt -85.24 117.67 30.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.371 179.581 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -95.35 126.02 40.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.633 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -85.16 133.62 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.024 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.5 t -85.03 123.98 39.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.955 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.4 p -129.39 14.64 6.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.057 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -130.77 13.24 5.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.28 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.7 t70 68.74 -70.59 0.13 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.349 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 56.5 t80 65.55 84.75 0.15 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.034 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.87 107.57 43.97 Favored Pre-proline 0 CA--C 1.532 0.255 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.628 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -59.32 138.03 82.08 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.351 2.034 . . . . 0.0 112.351 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.0 mt -98.71 96.53 7.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.477 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.48 -168.79 14.89 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.246 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.36 103.21 15.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.718 0.294 . . . . 0.0 111.017 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -99.81 149.05 23.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.856 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -75.8 146.09 40.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.1 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.1 p30 43.51 30.8 0.37 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.493 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -101.23 167.04 10.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 16.8 tt -143.9 142.53 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.951 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 73.4 p -88.64 143.46 26.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.176 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.474 HD11 HG11 ' A' ' 57' ' ' VAL . 97.0 mt -135.7 168.68 18.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -134.36 142.11 47.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.748 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -60.3 103.77 0.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.568 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.84 13.98 3.56 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.229 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -100.96 155.29 18.05 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.951 0.405 . . . . 0.0 111.144 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -123.24 138.39 54.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.276 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.449 HG23 ' HA ' ' A' ' 44' ' ' THR . 2.4 p -154.81 123.7 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.64 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 10.3 pt-20 -75.54 153.66 37.3 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.715 178.518 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.484 ' HA ' HG12 ' A' ' 42' ' ' VAL . 7.1 p -92.9 134.8 29.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.275 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.501 HD11 ' HB2' ' A' ' 43' ' ' ARG . 68.4 mt -85.01 -67.84 0.77 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.678 179.524 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -112.21 156.97 21.47 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.069 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -153.46 117.52 4.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.086 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -157.34 -18.47 0.09 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.303 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 -117.55 113.13 38.65 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.087 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -53.67 -23.86 27.6 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.646 2.231 . . . . 0.0 112.416 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 tt -60.04 -69.44 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.723 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -144.31 127.15 16.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 12.6 m0 -94.99 153.05 17.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.2 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 59.4 tp -80.94 122.83 27.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.454 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.484 HG12 ' HA ' ' A' ' 31' ' ' VAL . 33.7 m -126.09 162.77 29.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 121.073 0.463 . . . . 0.0 111.898 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.501 ' HB2' HD11 ' A' ' 32' ' ' LEU . 29.0 ttt180 -142.41 111.7 6.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.528 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.449 ' HA ' HG23 ' A' ' 29' ' ' VAL . 30.5 p -58.42 148.04 29.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.301 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.43 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 58.3 mtpt -84.59 143.09 40.6 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.745 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 45' ' ' LYS . 58.8 Cg_endo -90.07 154.82 4.8 Favored 'Trans proline' 0 N--CA 1.454 -0.796 0 C-N-CA 122.803 2.335 . . . . 0.0 112.67 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.4 p -93.81 36.42 1.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.953 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt 63.47 17.96 10.71 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.032 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 48.2 t -162.34 -34.66 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 43.9 t -83.88 123.45 75.87 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.057 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -57.63 133.95 59.91 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.628 2.219 . . . . 0.0 112.228 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.8 m -79.19 149.12 32.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 30.8 tpt180 -128.0 139.65 52.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.73 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -112.16 127.1 55.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.156 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -152.32 163.13 30.15 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.254 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 80.1 m95 -89.79 128.19 36.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.707 0.289 . . . . 0.0 110.588 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.474 HG11 HD11 ' A' ' 23' ' ' LEU . 35.3 m -121.72 163.57 19.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.425 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 59.8 m -94.78 117.19 66.94 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.833 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.474 ' HA ' ' HB2' ' A' ' 62' ' ' LEU . 40.2 Cg_endo -67.5 -10.24 28.05 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.458 2.105 . . . . 0.0 112.457 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.33 -32.57 74.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.152 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -105.05 3.68 30.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.823 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.474 ' HB2' ' HA ' ' A' ' 59' ' ' PRO . 8.4 mp -109.51 147.39 33.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.04 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -122.64 122.38 38.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.92 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -63.69 141.81 58.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.726 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -139.42 128.4 23.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.926 0.393 . . . . 0.0 111.453 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.8 mp -121.67 101.9 7.89 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.59 179.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -94.82 134.12 37.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.954 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 tt . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.284 -0.865 . . . . 0.0 110.561 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 30.0 pt . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.774 0.321 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -85.45 170.42 12.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.972 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -122.24 109.67 14.76 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.307 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.638 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 36.9 mt -84.77 115.45 26.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.917 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -94.69 142.67 27.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.771 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.5 p -101.93 135.03 40.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 38.5 t -94.01 116.73 35.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.5 p -120.83 10.0 10.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.997 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -116.11 21.64 13.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.169 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.446 ' HA ' ' HB2' ' A' ' 25' ' ' GLU . 9.6 m-20 64.01 -80.13 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.203 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 42.3 t80 61.76 83.6 0.15 Allowed 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.235 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 mp -117.53 108.66 42.92 Favored Pre-proline 0 C--N 1.332 -0.189 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.092 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -58.6 131.35 41.91 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.184 1.922 . . . . 0.0 112.084 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.7 mt -90.86 96.21 10.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.907 0.384 . . . . 0.0 110.772 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.11 -164.49 13.16 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.302 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -103.17 100.15 10.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.813 0.339 . . . . 0.0 110.961 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -100.66 138.67 37.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -72.9 143.05 47.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 57.85 22.98 9.19 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.182 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -119.32 137.45 53.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.178 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.0 tt -114.6 138.56 44.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.6 p -74.1 137.97 43.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.741 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.401 HD11 HG11 ' A' ' 57' ' ' VAL . 84.5 mt -132.77 145.81 51.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.168 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -120.41 143.98 48.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.596 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.446 ' HB2' ' HA ' ' A' ' 10' ' ' ASP . 0.7 OUTLIER -55.21 101.28 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.592 179.875 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.97 17.36 2.78 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.578 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -101.28 134.9 43.64 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 120.84 0.352 . . . . 0.0 111.161 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -104.22 139.43 39.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.517 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.8 p -159.39 123.98 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.638 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 10.0 pt-20 -74.75 153.53 38.77 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.143 179.059 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.566 ' HA ' HG12 ' A' ' 42' ' ' VAL . 11.9 p -95.4 140.68 16.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.18 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 67.4 mt -96.39 -69.29 0.76 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.653 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -125.24 166.53 16.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.751 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -113.83 -56.65 2.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 59.58 -87.03 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.288 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -104.0 126.48 31.64 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.667 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.572 ' HA ' ' HE1' ' A' ' 40' ' ' TRP . 71.2 Cg_exo -53.5 -23.86 26.42 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.633 2.222 . . . . 0.0 112.715 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.5 tt -57.36 -55.04 39.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -137.06 138.69 40.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.941 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.572 ' HE1' ' HA ' ' A' ' 37' ' ' PRO . 54.8 m0 -109.98 153.04 25.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 49.8 tp -85.98 130.23 34.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.481 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.566 HG12 ' HA ' ' A' ' 31' ' ' VAL . 34.4 m -145.05 139.42 22.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.754 0.311 . . . . 0.0 111.653 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.517 ' HB3' ' HB3' ' A' ' 54' ' ' GLN . 14.0 ptm180 -124.03 115.64 21.53 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.307 179.122 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.9 p -65.22 154.87 36.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.232 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -84.6 139.81 38.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.676 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -70.52 138.07 34.6 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.267 1.978 . . . . 0.0 112.233 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.436 HG23 ' OG ' ' A' ' 49' ' ' SER . 7.3 t -94.81 36.39 1.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.084 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.3 mttp 63.42 13.58 7.23 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.385 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.436 ' OG ' HG23 ' A' ' 47' ' ' THR . 86.3 p -149.63 -17.83 0.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.175 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 62.8 m -128.91 117.8 19.42 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -57.42 152.85 44.42 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.464 2.109 . . . . 0.0 112.356 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.6 t -67.12 124.93 24.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.152 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 53' ' ' ARG . 20.9 mtm180 -118.21 125.02 49.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.638 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.517 ' HB3' ' HB3' ' A' ' 43' ' ' ARG . 8.0 pt20 -99.84 134.77 42.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.0 0.429 . . . . 0.0 111.365 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -151.25 138.43 6.57 Favored Glycine 0 N--CA 1.451 -0.321 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.19 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 60.9 m95 -74.51 125.06 27.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.73 0.3 . . . . 0.0 110.728 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.401 HG11 HD11 ' A' ' 23' ' ' LEU . 34.9 m -132.85 172.08 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.217 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 56.6 m -85.47 113.38 50.5 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.929 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -71.02 -2.82 11.67 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.466 2.111 . . . . 0.0 112.534 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.41 -11.36 59.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.177 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -117.3 3.8 12.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.698 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.5 mp -114.39 136.18 53.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.385 -179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -117.84 131.87 56.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.317 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -55.59 149.83 13.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.962 0.41 . . . . 0.0 111.032 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 27.0 ttt180 -143.63 127.07 16.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.847 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.2 tp -105.16 119.97 40.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.968 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -76.14 121.78 23.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.025 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 95.4 mt . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.132 -0.937 . . . . 0.0 110.906 179.914 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 35.7 pt . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.741 0.305 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.478 ' HB3' ' HB2' ' A' ' 30' ' ' GLU . 52.2 m-85 -95.76 167.37 11.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.638 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -122.14 111.29 16.8 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.218 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.651 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 46.5 mt -84.54 122.68 38.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.539 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -95.91 155.11 16.89 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.624 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 63' ' ' ASP . 13.1 p -121.28 138.73 50.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.109 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.7 t -88.8 119.1 35.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.8 p -127.28 17.51 7.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.117 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -132.73 2.97 3.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.394 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.1 t70 60.31 101.95 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.2 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -102.95 93.3 4.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.789 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 76.6 mt -112.99 105.28 55.81 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.685 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.436 ' HG2' HG22 ' A' ' 22' ' ' THR . 36.2 Cg_exo -58.73 128.98 30.1 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.47 2.113 . . . . 0.0 112.485 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 86.1 mt -91.6 96.24 10.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.59 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.85 -137.64 14.03 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.525 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -126.66 109.18 11.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.757 0.313 . . . . 0.0 111.085 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -106.22 124.44 49.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -63.0 149.45 44.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.264 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.2 p30 43.87 31.86 0.54 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.695 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -115.89 148.51 39.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.866 0.365 . . . . 0.0 111.042 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 14.2 tt -117.12 140.94 37.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.944 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.436 HG22 ' HG2' ' A' ' 13' ' ' PRO . 70.8 p -80.99 147.39 30.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.183 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.498 HD11 HG11 ' A' ' 57' ' ' VAL . 90.1 mt -139.1 166.56 24.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.174 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -135.86 143.04 44.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.577 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -60.17 106.97 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.69 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 120.49 17.91 4.22 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.422 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -101.21 166.02 10.99 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 120.88 0.371 . . . . 0.0 111.123 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.44 ' HB3' HG21 ' A' ' 4' ' ' ILE . 32.7 m-85 -133.01 135.45 45.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.768 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.434 ' N ' HG23 ' A' ' 4' ' ' ILE . 2.4 p -159.63 123.79 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.525 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.651 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 0.6 OUTLIER -76.84 153.39 34.86 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.137 179.277 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.569 ' HA ' HG12 ' A' ' 42' ' ' VAL . 12.7 p -87.68 143.22 11.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.176 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.588 HD11 ' HB2' ' A' ' 43' ' ' ARG . 97.1 mt -94.11 -73.0 0.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.852 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -94.51 -173.63 3.1 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -144.31 11.76 1.53 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.226 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.25 147.04 50.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.297 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 71.3 m80 59.68 98.31 0.04 OUTLIER Pre-proline 0 CA--C 1.53 0.197 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.403 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -52.79 -25.19 26.13 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 122.561 2.174 . . . . 0.0 112.37 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 61.2 tp -60.26 -66.12 0.57 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.967 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -125.6 135.78 52.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 18.5 m0 -112.42 152.27 28.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.791 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.9 tp -79.77 136.84 36.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.586 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.569 HG12 ' HA ' ' A' ' 31' ' ' VAL . 27.0 m -142.98 150.22 18.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.917 0.389 . . . . 0.0 111.545 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.588 ' HB2' HD11 ' A' ' 32' ' ' LEU . 40.5 ttm180 -136.88 111.9 8.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.436 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.406 ' HA ' HG23 ' A' ' 29' ' ' VAL . 44.9 p -57.74 155.89 9.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.515 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -85.71 133.98 40.64 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.844 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -78.2 136.81 14.74 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.47 2.113 . . . . 0.0 112.451 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.1 t -161.32 151.82 17.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt 60.48 45.43 10.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.754 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 48.5 m 61.27 20.31 10.92 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.504 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.9 m -100.56 122.91 47.94 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.865 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -62.72 154.28 66.73 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.717 2.278 . . . . 0.0 112.399 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.7 p -91.66 126.68 36.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.073 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -102.74 160.41 14.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -132.69 127.04 33.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.715 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -152.28 163.52 30.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.514 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 77.2 m95 -92.81 129.44 38.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.738 0.304 . . . . 0.0 110.602 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.498 HG11 HD11 ' A' ' 23' ' ' LEU . 35.8 m -130.45 162.65 37.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.819 0.343 . . . . 0.0 111.461 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 52.6 m -90.33 114.75 62.18 Favored Pre-proline 0 CA--C 1.531 0.227 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.739 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -71.71 -0.45 8.36 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.328 2.019 . . . . 0.0 112.458 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.06 -4.45 28.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.182 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -130.21 9.24 5.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.994 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -109.62 156.28 20.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.383 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.407 ' O ' HG12 ' A' ' 6' ' ' VAL . 17.8 t70 -126.21 110.55 13.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.159 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 20.3 ptp180 -56.61 149.23 17.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.011 0.434 . . . . 0.0 111.402 -179.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.541 ' HE ' ' H ' ' A' ' 66' ' ' LEU . 6.0 tpm_? -141.18 138.37 33.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.51 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.541 ' H ' ' HE ' ' A' ' 65' ' ' ARG . 5.2 mp -94.31 124.49 38.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.798 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.567 ' HA ' ' HE2' ' A' ' 67' ' ' LYS . 0.3 OUTLIER -102.67 137.28 41.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.943 -179.866 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 76.2 mt . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.319 -0.848 . . . . 0.0 110.854 179.858 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 7.7 tp . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.889 0.376 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.476 ' HB3' ' HB2' ' A' ' 30' ' ' GLU . 92.7 m-85 -62.9 174.51 1.06 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -122.18 105.26 10.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.873 0.368 . . . . 0.0 111.54 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.641 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 47.6 mt -84.97 114.73 25.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.025 179.57 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -94.67 141.53 28.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.72 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.1 p -102.1 132.99 46.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.027 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.8 t -85.89 112.77 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.949 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.5 p -118.74 20.88 12.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.27 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -137.33 9.94 2.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.306 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.1 t70 62.75 162.27 0.09 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.797 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -161.73 93.38 0.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 63.4 tp -117.22 107.74 44.94 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.03 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -57.78 144.09 94.12 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.458 2.105 . . . . 0.0 112.549 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.2 mt -88.43 95.77 10.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.542 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.78 -134.45 18.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.367 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.46 112.71 24.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.775 0.321 . . . . 0.0 110.805 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -120.23 129.37 54.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.766 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.401 ' OE1' ' N ' ' A' ' 18' ' ' GLN . 14.1 mp0 -86.96 149.62 24.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.067 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 60.99 23.6 13.75 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.043 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -123.5 158.88 30.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.024 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.9 tt -135.9 133.52 50.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.8 t -58.63 137.23 57.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.43 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.4 mt -147.26 168.3 22.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.847 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -139.83 159.48 42.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.918 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -72.05 101.83 2.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.61 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 127.76 15.07 2.44 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.437 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -101.2 155.68 17.87 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 120.828 0.347 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -118.94 138.29 52.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.769 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.418 HG22 ' HB ' ' A' ' 42' ' ' VAL . 2.8 p -158.48 123.93 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-O 120.975 0.417 . . . . 0.0 112.033 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.641 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 11.4 pt-20 -75.16 153.46 38.19 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.821 178.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.51 ' HA ' HG12 ' A' ' 42' ' ' VAL . 13.2 p -95.17 136.27 26.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.286 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.1 mt -93.83 -52.05 4.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.881 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -139.31 173.79 11.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.05 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -124.73 -69.24 0.81 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 60.65 -85.37 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.665 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -90.89 118.04 68.34 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.984 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.544 ' HA ' ' HE1' ' A' ' 40' ' ' TRP . 74.4 Cg_exo -54.37 -26.2 42.92 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.699 2.266 . . . . 0.0 112.499 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 98.1 mt -61.87 -44.89 95.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.015 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -145.04 131.64 19.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.172 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.544 ' HE1' ' HA ' ' A' ' 37' ' ' PRO . 52.7 m0 -106.6 145.95 31.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.436 HD11 ' HG2' ' A' ' 54' ' ' GLN . 55.7 tp -80.29 131.98 35.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.924 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.51 HG12 ' HA ' ' A' ' 31' ' ' VAL . 31.5 m -135.76 160.98 39.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.59 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.41 ' C ' HG23 ' A' ' 29' ' ' VAL . 52.7 ttp180 -137.03 111.94 8.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.48 179.753 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.411 ' HA ' HG23 ' A' ' 29' ' ' VAL . 34.9 p -62.71 158.21 19.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.327 -179.666 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -86.64 127.95 58.5 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.869 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -75.05 150.23 37.64 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.457 2.105 . . . . 0.0 112.593 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.4 p -102.89 -159.26 0.72 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.813 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.0 mmtm -76.56 3.48 11.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.45 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.1 m -154.88 -30.81 0.1 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.455 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 45.8 t -84.02 114.37 53.82 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.328 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -65.81 157.63 57.94 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.593 2.195 . . . . 0.0 112.083 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.3 t -72.41 123.05 22.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.044 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -109.41 145.12 36.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.552 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.436 ' HG2' HD11 ' A' ' 41' ' ' LEU . 15.3 tt0 -122.76 127.28 48.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.855 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -151.92 162.69 29.83 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.661 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 79.0 m95 -89.91 138.51 31.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.684 0.278 . . . . 0.0 110.535 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.4 m -134.57 171.96 16.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.346 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 59.9 p -94.09 111.15 52.07 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.692 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.47 -3.4 12.4 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.301 2.001 . . . . 0.0 112.483 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.6 -3.4 30.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.119 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -132.83 13.54 4.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.7 mp -110.74 143.63 40.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.466 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -116.02 127.25 54.76 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.507 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -73.63 130.86 40.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.985 0.422 . . . . 0.0 111.396 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.6 mtp180 -142.27 141.46 32.47 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.487 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 85.6 mt -113.13 122.11 46.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.073 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -103.92 111.72 24.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.696 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.576 ' N ' HD23 ' A' ' 68' ' ' LEU . 1.1 pt? . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.604 -0.712 . . . . 0.0 111.103 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 65.1 mt . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.708 0.29 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 60.53 101.86 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.102 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.486 ' O ' ' HA ' ' A' ' 30' ' ' GLU . 12.5 t0 -95.86 103.62 15.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.605 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.595 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 42.8 mt -83.85 138.24 19.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.986 0.422 . . . . 0.0 111.436 -179.524 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -120.88 160.08 24.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.533 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.7 p -122.95 130.42 74.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.099 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 49.0 t -82.47 121.41 35.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.703 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.436 ' HA ' ' HG2' ' A' ' 25' ' ' GLU . 79.0 p -127.84 29.71 5.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.246 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -144.12 10.11 1.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.31 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 55.88 93.69 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.066 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.418 ' C ' HD22 ' A' ' 12' ' ' LEU . 55.7 t80 -91.28 82.43 5.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.867 0.365 . . . . 0.0 110.847 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.418 HD22 ' C ' ' A' ' 11' ' ' TYR . 4.1 mm? -115.92 108.98 45.61 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.1 133.94 56.37 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.33 2.02 . . . . 0.0 112.212 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 78.3 mt -102.46 96.75 7.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.667 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 114.21 -164.72 12.04 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.275 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.43 97.7 10.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.797 0.332 . . . . 0.0 111.082 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -109.53 153.03 24.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.456 ' H ' ' CD ' ' A' ' 18' ' ' GLN . 5.4 pm0 -104.59 148.51 26.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.596 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 59.83 18.6 7.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -107.49 125.79 51.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.157 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 14.7 tt -102.71 139.3 24.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.1 p -80.17 125.06 29.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.534 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.7 mt -127.57 142.58 51.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.951 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -106.4 133.62 50.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.773 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.436 ' HG2' ' HA ' ' A' ' 8' ' ' THR . 2.1 tm-20 -51.74 115.09 1.48 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.716 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 117.12 13.36 7.73 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.291 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -101.25 152.73 20.32 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 120.806 0.336 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -117.01 137.7 52.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.482 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.441 ' HB ' HG22 ' A' ' 44' ' ' THR . 2.2 p -159.0 124.48 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -179.516 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.595 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 0.2 OUTLIER -80.41 153.14 28.46 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.392 178.633 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.535 ' HA ' HG12 ' A' ' 42' ' ' VAL . 11.9 p -87.5 137.04 21.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.896 0.379 . . . . 0.0 111.483 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.4 mt -87.98 -77.22 0.36 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.883 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -102.56 129.7 49.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -101.45 105.41 16.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -145.48 125.89 14.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 33.7 m80 63.78 109.69 0.03 OUTLIER Pre-proline 0 CA--C 1.532 0.262 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.983 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -51.54 -23.88 15.7 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.723 2.282 . . . . 0.0 112.699 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.8 mt -56.01 -55.52 31.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.174 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.584 HH21 ' HB2' ' A' ' 56' ' ' TRP . 11.5 ptm180 -146.07 131.34 18.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.083 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 21.9 m0 -111.85 155.38 23.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.035 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 54.0 tp -85.8 120.14 26.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.671 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.535 HG12 ' HA ' ' A' ' 31' ' ' VAL . 22.2 m -128.66 158.58 40.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.888 0.375 . . . . 0.0 111.601 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -139.52 111.79 7.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.441 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.441 HG22 ' HB ' ' A' ' 29' ' ' VAL . 24.7 p -68.62 152.31 45.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.967 0.413 . . . . 0.0 111.6 -179.408 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -73.59 120.56 81.79 Favored Pre-proline 0 CA--C 1.531 0.232 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.758 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.4 ' HB3' ' N ' ' A' ' 52' ' ' SER . 27.8 Cg_endo -62.84 153.14 74.82 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.367 2.045 . . . . 0.0 112.426 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 54.8 p -83.06 -161.81 0.54 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.872 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -95.49 14.35 23.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.259 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 83.0 p -159.99 3.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.114 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 39.5 t -131.41 128.02 21.84 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.314 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -61.69 159.39 32.93 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.846 2.364 . . . . 0.0 112.26 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.4 ' N ' ' HB3' ' A' ' 46' ' ' PRO . 41.1 t -66.78 150.41 49.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.164 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -130.24 116.14 17.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.889 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -104.25 127.7 51.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.796 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -151.34 163.09 29.77 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.621 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.584 ' HB2' HH21 ' A' ' 39' ' ' ARG . 47.0 m95 -86.94 125.93 34.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.738 0.304 . . . . 0.0 110.438 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 33.1 m -122.87 167.68 16.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.407 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 57.0 m -97.83 118.46 63.94 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.826 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -68.88 -4.24 13.0 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.365 2.043 . . . . 0.0 112.638 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.53 -8.42 51.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.247 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -126.72 8.92 6.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.688 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.2 mp -106.68 142.93 35.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.225 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -114.64 149.11 37.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.847 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -80.73 123.01 27.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.503 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.4 ' HD2' HH11 ' A' ' 65' ' ' ARG . 11.3 ptm180 -143.43 130.1 20.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.947 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.534 HD23 ' N ' ' A' ' 66' ' ' LEU . 1.4 pt? -131.29 110.87 11.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.03 0.443 . . . . 0.0 110.878 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -144.34 141.21 29.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.924 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.418 HD12 ' N ' ' A' ' 68' ' ' LEU . 6.8 mp . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.284 -0.865 . . . . 0.0 110.789 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 45.7 mm . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.696 0.284 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.51 ' HB3' ' HB2' ' A' ' 30' ' ' GLU . 66.8 m-85 62.13 169.85 0.12 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.953 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.444 ' HB2' HG12 ' A' ' 31' ' ' VAL . 10.7 m-20 -122.39 100.69 7.07 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.333 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.652 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 65.7 mt -84.38 111.67 20.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.999 179.75 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -94.82 127.88 41.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.8 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.0 p -85.75 132.24 32.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.108 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 47.3 t -83.72 119.56 33.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.667 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.8 t -135.05 23.38 3.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.371 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -130.52 2.35 4.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.069 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.6 t70 61.81 109.32 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.987 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -118.59 91.4 3.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.936 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.42 HD12 ' HD2' ' A' ' 13' ' ' PRO . 57.8 tp -117.31 118.15 35.91 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.42 ' HD2' HD12 ' A' ' 12' ' ' LEU . 34.7 Cg_exo -59.03 150.22 74.43 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.379 2.053 . . . . 0.0 112.447 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.465 HD12 ' N ' ' A' ' 14' ' ' LEU . 4.9 mp -104.79 96.41 6.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.773 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.73 -137.95 13.64 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.546 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -118.89 106.58 12.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.871 0.367 . . . . 0.0 111.027 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -116.61 147.75 41.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.951 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -87.82 148.6 24.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 58.87 23.39 11.3 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.069 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -112.55 130.11 56.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.225 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.401 ' HB ' ' HA3' ' A' ' 55' ' ' GLY . 16.3 tt -103.59 143.82 15.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.2 p -86.79 118.74 26.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.106 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.0 mt -118.43 159.57 23.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.978 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.5 mmm180 -125.57 145.36 50.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.74 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -62.49 98.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.833 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 129.01 14.79 2.19 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.379 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -101.12 152.76 20.23 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 120.928 0.394 . . . . 0.0 111.209 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -112.11 136.28 51.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.286 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.432 ' N ' HG23 ' A' ' 4' ' ' ILE . 3.6 p -158.99 124.53 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.851 0.358 . . . . 0.0 111.891 -179.65 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.652 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 0.4 OUTLIER -76.52 153.75 35.19 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.057 179.007 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.472 ' HA ' HG12 ' A' ' 42' ' ' VAL . 13.1 p -95.4 142.06 14.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.139 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 90.8 mt -102.94 -68.61 0.83 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.777 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.488 ' HB3' ' HB3' ' A' ' 41' ' ' LEU . 29.6 t70 -97.23 146.06 25.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.784 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -123.49 7.95 8.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.368 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.48 138.22 58.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.031 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 60.92 101.3 0.04 OUTLIER Pre-proline 0 CA--C 1.531 0.245 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.018 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.488 ' HA ' ' HE1' ' A' ' 40' ' ' TRP . 74.4 Cg_exo -52.34 -22.35 15.67 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.8 2.333 . . . . 0.0 112.773 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -49.67 -57.05 7.96 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.066 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -147.59 140.25 24.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.739 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.488 ' HE1' ' HA ' ' A' ' 37' ' ' PRO . 54.0 m0 -115.36 151.04 35.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.143 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.513 HD11 ' HB3' ' A' ' 54' ' ' GLN . 54.6 tp -84.66 138.72 32.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.458 179.398 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.472 HG12 ' HA ' ' A' ' 31' ' ' VAL . 32.4 m -139.76 155.79 25.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.964 0.412 . . . . 0.0 111.446 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -132.74 111.9 11.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.238 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.1 p -67.68 143.99 55.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.902 0.382 . . . . 0.0 111.146 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -63.82 119.63 56.36 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.718 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -70.39 148.51 61.13 Favored 'Trans proline' 0 C--N 1.35 0.605 0 C-N-CA 122.294 1.996 . . . . 0.0 112.422 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.8 p -112.53 -162.81 0.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.016 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.434 ' HB2' ' NZ ' ' A' ' 48' ' ' LYS . 4.8 ttmp? -75.07 -10.46 59.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.193 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.3 t -140.43 6.29 2.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.614 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.408 ' HA ' ' HD2' ' A' ' 51' ' ' PRO . 45.2 t -120.93 111.89 33.89 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.086 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 50' ' ' SER . 56.7 Cg_endo -68.13 158.97 55.12 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.697 2.265 . . . . 0.0 112.227 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 77.0 p -67.71 112.62 4.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.6 tpt180 -111.11 155.56 22.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.784 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.513 ' HB3' HD11 ' A' ' 41' ' ' LEU . 23.2 mt-30 -136.25 130.89 33.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.777 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.401 ' HA3' ' HB ' ' A' ' 21' ' ' ILE . . . -151.17 163.04 29.7 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.75 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -90.7 140.71 29.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.749 0.309 . . . . 0.0 110.741 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.0 m -138.82 170.89 15.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.384 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.6 m -99.59 113.94 65.28 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.568 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.401 ' HA ' ' HB2' ' A' ' 62' ' ' LEU . 46.0 Cg_endo -67.59 -5.68 14.79 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.334 2.023 . . . . 0.0 112.47 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.16 -17.44 63.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.119 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -118.54 12.82 13.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.401 ' HB2' ' HA ' ' A' ' 59' ' ' PRO . 7.9 mp -103.1 135.94 43.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.187 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -108.61 118.78 37.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.721 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.699 ' H ' ' HD3' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -62.68 120.59 11.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.362 -179.697 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 65' ' ' ARG . 23.4 ttt180 -143.42 140.89 30.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.725 179.586 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 33.4 tp -118.08 114.42 23.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.034 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.419 ' NZ ' ' HB2' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -91.62 -23.19 19.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.771 179.818 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 82.8 mt . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.293 -0.861 . . . . 0.0 110.769 179.971 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 64.6 mt . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 120.883 0.373 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.514 ' HB3' ' HB2' ' A' ' 30' ' ' GLU . 31.0 m-85 -60.79 161.55 7.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -121.75 111.97 17.81 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.825 0.345 . . . . 0.0 111.115 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.644 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 40.3 mt -84.26 136.65 22.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.294 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -112.89 145.44 40.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.626 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.9 p -107.31 128.93 61.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.989 0.423 . . . . 0.0 110.92 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 40.0 t -78.31 107.39 10.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.805 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 79.5 p -113.85 16.69 18.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.288 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -137.74 10.6 2.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.364 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.3 t70 63.65 158.88 0.08 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.149 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -157.91 88.5 0.97 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.824 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.47 HD12 ' HD2' ' A' ' 13' ' ' PRO . 47.8 tp -106.71 123.45 38.58 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.47 ' HD2' HD12 ' A' ' 12' ' ' LEU . 40.5 Cg_exo -58.79 148.16 84.78 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 122.368 2.045 . . . . 0.0 112.409 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.8 mt -99.06 95.94 7.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.603 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.91 -95.41 0.72 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.625 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -117.54 112.85 21.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.868 0.366 . . . . 0.0 111.161 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.427 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -82.62 134.61 35.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.113 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -109.56 117.09 33.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 58.96 18.25 6.07 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.983 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.427 ' HB3' ' HB2' ' A' ' 17' ' ' GLU . . . -114.3 165.64 12.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.017 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.6 tt -125.67 135.79 62.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.075 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.7 t -68.62 145.33 54.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.978 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.4 mt -146.28 169.26 19.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.106 0.479 . . . . 0.0 111.355 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.2 mtt180 -133.95 149.95 51.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.335 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -62.75 93.77 0.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.971 0.415 . . . . 0.0 110.625 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 136.21 17.61 0.78 Allowed Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.168 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -101.06 144.59 29.79 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 120.852 0.358 . . . . 0.0 110.808 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.433 ' HB3' HG21 ' A' ' 4' ' ' ILE . 13.3 m-85 -108.75 135.88 49.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.742 -179.682 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.481 HG22 ' HB ' ' A' ' 42' ' ' VAL . 2.8 p -157.59 123.54 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-O 120.98 0.419 . . . . 0.0 111.924 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.644 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 8.9 pt-20 -77.68 153.92 32.62 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.739 179.666 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.603 ' HA ' HG12 ' A' ' 42' ' ' VAL . 13.9 p -88.27 144.7 8.63 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.056 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 90.3 mt -112.76 -71.24 0.76 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.483 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.429 ' HB2' ' HB3' ' A' ' 41' ' ' LEU . 15.0 t70 -57.27 -75.14 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.64 -179.328 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.94 91.16 0.07 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.038 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -140.4 -70.63 0.38 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.287 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.483 ' ND1' ' HG ' ' A' ' 38' ' ' LEU . 2.2 t-80 -107.88 134.06 20.23 Favored Pre-proline 0 CA--C 1.531 0.23 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.813 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.424 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 88.8 Cg_exo -51.15 -21.16 8.79 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.769 2.313 . . . . 0.0 112.64 -179.639 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.483 ' HG ' ' ND1' ' A' ' 36' ' ' HIS . 60.6 mt -51.58 -69.43 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.353 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -147.71 132.9 18.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.176 -179.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 26.6 m0 -115.42 150.74 35.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.273 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.429 ' HB3' ' HB2' ' A' ' 33' ' ' ASP . 34.6 tp -87.23 117.64 26.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.037 179.094 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.603 HG12 ' HA ' ' A' ' 31' ' ' VAL . 18.0 m -126.17 150.36 31.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.839 0.352 . . . . 0.0 111.805 -179.202 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.471 ' C ' HG23 ' A' ' 29' ' ' VAL . 15.6 ttm180 -124.75 113.7 18.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.621 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.9 p -62.49 142.09 58.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.849 0.357 . . . . 0.0 111.194 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -72.68 130.56 85.36 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.139 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -75.08 165.59 30.88 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.427 2.085 . . . . 0.0 112.09 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.0 t -151.15 135.48 16.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.307 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt 64.52 -80.82 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.404 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.7 t -150.24 19.0 0.86 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.03 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 47.7 t -82.24 122.34 79.26 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.942 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo -59.81 141.06 96.05 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.593 2.195 . . . . 0.0 112.103 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.7 p -75.91 127.23 32.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.962 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 -121.18 132.35 54.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.698 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.417 ' HB3' ' HB2' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -116.88 134.4 54.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.473 -179.727 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -150.11 154.9 25.95 Favored Glycine 0 N--CA 1.451 -0.331 0 CA-C-N 115.848 -0.614 . . . . 0.0 112.317 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 65.1 m95 -75.56 123.0 24.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.729 0.3 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 28.4 m -122.76 164.53 19.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.171 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.1 p -88.5 110.62 38.09 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.43 -7.77 21.84 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.498 2.132 . . . . 0.0 112.839 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.82 -14.1 62.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.097 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -116.38 11.75 15.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.716 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.0 mp -110.67 149.96 29.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.197 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -117.1 144.39 44.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.435 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.624 ' H ' ' HD3' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -64.0 132.55 50.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.908 0.385 . . . . 0.0 111.071 -179.803 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -143.3 105.88 4.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.816 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.452 ' N ' HD12 ' A' ' 66' ' ' LEU . 6.7 mp -104.76 139.72 39.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.9 tptp 63.9 147.67 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.095 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 52.1 tp . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.928 -179.761 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 42.6 pt . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 120.683 0.277 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 59.06 99.3 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.018 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.44 ' O ' ' HA ' ' A' ' 30' ' ' GLU . 10.7 m-20 -90.28 100.92 13.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.249 -179.738 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.561 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 46.4 mt -85.01 114.73 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.391 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -100.39 130.43 46.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.753 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.1 p -86.04 139.06 17.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.026 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 43.9 t -93.14 113.66 28.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.975 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 67.2 p -116.21 12.05 15.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.009 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -121.83 2.76 10.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.975 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.8 t70 72.18 -63.88 0.41 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.434 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 47.8 t80 63.74 78.11 0.3 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.98 0.419 . . . . 0.0 110.606 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 55.9 tp -106.84 108.11 61.44 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.029 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo -62.56 150.0 89.12 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.373 2.049 . . . . 0.0 112.157 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.8 mt -112.89 96.42 5.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.557 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.83 -159.93 18.08 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.275 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.15 99.44 11.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.813 0.34 . . . . 0.0 110.959 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -94.87 149.3 21.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.024 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -92.43 139.68 30.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.185 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 56.95 26.77 12.2 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.088 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -117.64 161.29 19.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.127 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 16.3 tt -141.59 142.91 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.0 t -75.17 141.92 43.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.905 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.9 mt -140.1 151.94 45.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.929 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -115.43 139.94 49.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.846 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -58.91 105.66 0.34 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.955 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 120.53 17.53 4.3 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.657 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -101.31 142.99 31.92 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 120.873 0.368 . . . . 0.0 111.09 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.446 ' HB3' HG21 ' A' ' 4' ' ' ILE . 30.4 m-85 -101.56 136.55 41.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.739 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.46 HG23 ' C ' ' A' ' 43' ' ' ARG . 1.5 p -158.16 122.9 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.561 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 0.6 OUTLIER -84.11 153.26 23.84 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.5 178.676 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.626 HG21 ' HB2' ' A' ' 34' ' ' ALA . 12.3 p -90.75 144.71 8.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.335 -179.709 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.479 HD11 ' HB2' ' A' ' 43' ' ' ARG . 70.9 mt -92.17 -79.35 0.39 Allowed 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.89 -179.526 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -80.64 -75.53 0.27 Allowed 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.237 -178.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.626 ' HB2' HG21 ' A' ' 31' ' ' VAL . . . 68.27 111.01 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.935 -179.146 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -159.37 -64.58 0.08 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.195 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -61.59 118.29 36.18 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -53.4 -27.33 39.12 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.625 2.216 . . . . 0.0 112.659 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.473 ' H ' HD12 ' A' ' 38' ' ' LEU . 6.3 mp -65.24 -57.15 9.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.085 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.6 ptt180 -144.11 146.71 32.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.083 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 46.1 m0 -112.55 151.54 29.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.023 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 62.2 tp -82.43 98.95 9.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.797 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 29.8 m -104.18 154.23 6.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.92 0.391 . . . . 0.0 111.066 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.479 ' HB2' HD11 ' A' ' 32' ' ' LEU . 62.2 ttt180 -142.15 111.77 6.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.822 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 58.7 p -62.74 124.83 22.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.027 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.0 pttt -67.2 130.74 93.6 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.704 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -67.34 173.8 8.15 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.246 1.964 . . . . 0.0 112.465 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.6 p -102.89 28.41 6.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.033 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.407 ' HB3' ' NZ ' ' A' ' 48' ' ' LYS . 9.4 mtpm? 60.59 18.46 8.4 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.185 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.418 ' H ' ' H ' ' A' ' 50' ' ' SER . 84.1 p -163.22 -2.61 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.003 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.418 ' H ' ' H ' ' A' ' 49' ' ' SER . 49.0 m -128.03 132.88 24.59 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_endo -55.27 126.07 21.27 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.76 2.307 . . . . 0.0 112.296 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.9 p -68.2 155.09 40.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.047 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 65.5 mtm180 -129.58 121.61 27.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.81 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -107.88 127.54 53.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.0 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -152.03 150.79 22.72 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.376 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 44.4 m95 -82.58 128.65 34.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.685 0.279 . . . . 0.0 110.557 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.8 m -131.39 171.63 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 111.318 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.3 m -87.76 115.35 62.71 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.5 -3.07 12.31 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.312 2.008 . . . . 0.0 112.341 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.31 -13.07 62.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.18 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -118.97 15.01 13.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.975 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.3 mp -104.08 157.79 16.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -128.84 123.04 31.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.798 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 50.3 ttp180 -63.98 118.11 7.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.975 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -141.56 125.5 17.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.545 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 59.0 mt -107.12 124.99 50.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.483 ' NZ ' ' HB3' ' A' ' 67' ' ' LYS . 3.0 mmmp? -119.48 -28.19 5.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.478 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.409 HD12 ' N ' ' A' ' 68' ' ' LEU . 6.4 mp . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.323 -0.846 . . . . 0.0 110.744 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 44.6 pt . . . . . 0 N--CA 1.485 1.287 0 CA-C-O 120.734 0.302 . . . . 0.0 111.286 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -64.35 173.26 2.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.796 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -122.45 111.86 17.35 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.91 0.386 . . . . 0.0 111.836 -179.347 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.606 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 35.0 mt -85.51 113.4 23.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.707 178.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -94.41 142.86 26.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.645 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.4 p -99.72 140.86 18.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 45.4 t -88.94 109.36 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.984 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 58.9 p -116.44 8.19 14.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.296 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -122.54 16.46 10.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.375 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.4 t70 66.8 -73.92 0.07 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.219 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.9 t80 63.72 87.33 0.11 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.059 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.445 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 45.5 tp -117.27 125.48 28.15 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.493 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 12' ' ' LEU . 23.8 Cg_exo -64.11 143.64 84.85 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.27 1.98 . . . . 0.0 112.513 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.6 mt -116.22 96.49 5.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.688 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.67 -137.21 14.08 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.481 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -119.18 98.05 5.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.833 0.349 . . . . 0.0 111.053 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -98.27 140.85 31.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.047 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -99.76 147.23 25.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.046 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 58.24 18.4 5.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.198 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -109.17 152.46 25.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.119 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.5 tt -124.2 133.67 68.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.067 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.9 t -63.38 148.84 47.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.183 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.687 HD11 HG11 ' A' ' 57' ' ' VAL . 86.6 mt -141.68 159.97 41.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.979 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -134.8 140.33 45.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.636 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -54.27 104.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.54 17.78 3.13 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.598 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -101.59 155.2 18.23 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 120.81 0.338 . . . . 0.0 111.171 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -122.38 140.71 52.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.204 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.445 HG23 ' C ' ' A' ' 43' ' ' ARG . 2.4 p -157.98 123.09 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.739 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.606 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 13.2 pt-20 -74.42 153.5 39.19 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.76 178.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.603 ' HA ' HG12 ' A' ' 42' ' ' VAL . 12.4 p -95.72 142.92 12.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.402 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.7 mt -100.26 -76.65 0.55 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.732 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -119.15 163.99 16.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.881 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.48 -84.22 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.064 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 58.14 103.24 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.522 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 31.5 m170 64.36 114.66 0.02 OUTLIER Pre-proline 0 CA--C 1.531 0.216 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.326 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.41 ' HA ' ' HE1' ' A' ' 40' ' ' TRP . 71.0 Cg_exo -55.46 -23.79 40.69 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.724 2.283 . . . . 0.0 112.646 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.7 mp -56.88 -56.88 15.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.997 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -137.95 139.88 39.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.41 ' HE1' ' HA ' ' A' ' 37' ' ' PRO . 44.7 m0 -110.38 152.9 25.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.012 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 59.5 tp -79.41 130.45 35.43 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.899 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.603 HG12 ' HA ' ' A' ' 31' ' ' VAL . 30.5 m -142.76 144.81 23.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.4 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.445 ' C ' HG23 ' A' ' 29' ' ' VAL . 15.5 ptm180 -122.05 123.95 42.8 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.557 179.306 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.3 p -66.45 131.52 46.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.346 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -65.43 114.44 15.62 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.577 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.434 ' HG3' ' HB3' ' A' ' 52' ' ' SER . 74.3 Cg_endo -74.68 -177.8 3.63 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.337 2.025 . . . . 0.0 112.655 -179.631 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.4 p -127.29 -160.56 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.552 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -85.31 7.71 21.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.229 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.3 m -158.59 13.35 0.18 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.335 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 52.9 m -121.77 122.18 27.91 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.137 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -62.15 144.95 96.42 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.681 2.254 . . . . 0.0 112.177 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.434 ' HB3' ' HG3' ' A' ' 46' ' ' PRO . 83.3 p -83.26 122.87 28.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.143 -179.736 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.406 ' HA ' ' NE ' ' A' ' 53' ' ' ARG . 3.7 mmp_? -125.76 132.35 52.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.648 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -119.62 132.55 55.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -148.19 159.18 27.95 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.51 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 54.3 m95 -82.45 128.65 34.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.833 0.349 . . . . 0.0 110.76 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.687 HG11 HD11 ' A' ' 23' ' ' LEU . 24.6 m -128.87 170.44 18.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.254 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.3 m -84.56 110.5 27.66 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.713 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -70.54 -6.76 19.73 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.35 2.033 . . . . 0.0 112.499 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.7 -18.06 62.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.193 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -111.78 10.42 20.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.2 mp -103.4 145.51 29.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.047 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -117.63 118.72 32.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.78 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 -63.48 115.17 4.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -136.0 129.11 31.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.954 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.554 HD13 ' H ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -131.19 144.56 51.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.804 179.825 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -102.89 3.39 36.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.53 ' HB3' HD23 ' A' ' 66' ' ' LEU . 58.2 tp . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.934 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 50.9 mt . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.784 0.326 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.517 ' HB3' ' HB2' ' A' ' 30' ' ' GLU . 15.9 m-85 -74.47 139.36 43.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.565 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -113.75 114.29 26.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.186 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.623 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 25.1 mt -84.66 120.1 34.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.062 0.458 . . . . 0.0 111.545 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -97.27 156.06 16.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.35 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.3 p -110.33 132.45 58.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.9 0.381 . . . . 0.0 111.154 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.2 t -90.28 118.09 34.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.896 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.6 p -125.83 24.0 7.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.231 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -129.55 17.36 5.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.104 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 64.94 -78.47 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.264 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.3 t80 62.32 86.21 0.11 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.741 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 97.1 mt -117.68 118.45 35.03 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.078 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.86 136.6 71.1 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.487 2.125 . . . . 0.0 112.318 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.567 ' H ' HD23 ' A' ' 14' ' ' LEU . 0.8 OUTLIER -111.78 97.97 7.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.046 179.837 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 109.96 -119.0 5.27 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.61 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -126.36 109.06 11.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.792 0.33 . . . . 0.0 111.187 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.498 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -96.63 144.15 26.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.989 179.881 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -112.37 138.27 49.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.205 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 56.2 18.52 3.32 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.36 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.498 ' HB3' ' HB2' ' A' ' 17' ' ' GLU . . . -113.37 168.39 9.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.191 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.6 tt -135.43 130.98 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.017 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.2 t -61.37 148.41 41.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.6 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.538 HD11 HG11 ' A' ' 57' ' ' VAL . 96.2 mt -144.2 159.47 42.61 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.683 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 24' ' ' ARG . 41.8 mtm180 -132.04 153.81 50.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.981 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -63.83 93.19 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.647 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 127.59 21.63 1.58 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.53 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -101.42 147.04 26.81 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 120.83 0.348 . . . . 0.0 110.999 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -113.81 139.77 48.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.51 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.439 HG23 ' C ' ' A' ' 43' ' ' ARG . 2.9 p -158.73 123.88 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-O 120.999 0.428 . . . . 0.0 112.121 -179.585 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.623 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 11.3 pt-20 -76.54 153.59 35.3 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.239 179.279 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.607 ' HA ' HG12 ' A' ' 42' ' ' VAL . 14.2 p -91.03 144.85 8.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.63 -179.557 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.462 HD11 ' HD3' ' A' ' 43' ' ' ARG . 95.3 mt -105.05 -81.98 0.53 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.725 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -70.84 -79.43 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.003 -178.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.592 ' HB2' HG21 ' A' ' 31' ' ' VAL . . . 62.51 18.79 10.72 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.116 -179.46 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -79.43 -16.16 56.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.0 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 43.7 m80 -95.38 119.12 65.92 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.601 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -53.13 -25.19 28.39 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.643 2.229 . . . . 0.0 113.119 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.0 mt -80.22 -88.87 0.07 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.485 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.54 ' HG2' ' HB3' ' A' ' 56' ' ' TRP . 2.7 ttp180 -100.0 147.97 25.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.93 0.395 . . . . 0.0 111.166 -179.582 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 54.8 m0 -113.17 139.74 48.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.072 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.4 tp -83.35 136.91 34.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.15 179.361 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.607 HG12 ' HA ' ' A' ' 31' ' ' VAL . 27.0 m -142.52 159.37 19.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.91 0.386 . . . . 0.0 111.782 -179.565 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.462 ' HD3' HD11 ' A' ' 32' ' ' LEU . 34.3 ptt180 -137.09 123.72 21.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.107 179.059 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.1 p -72.35 149.35 44.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.887 0.375 . . . . 0.0 111.392 -179.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -76.64 124.72 87.82 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.96 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -78.76 -175.86 2.97 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.427 2.085 . . . . 0.0 112.617 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.5 t -169.86 149.2 3.67 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.125 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.0 tttm 57.61 47.07 16.55 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.965 0.412 . . . . 0.0 110.725 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 43.4 t 52.5 71.58 0.46 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 71.2 m -131.01 135.66 27.66 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.917 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -53.79 120.62 8.17 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.75 2.3 . . . . 0.0 112.262 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 77.4 p -69.46 121.33 16.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.963 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -92.12 154.29 18.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.146 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -146.46 129.11 16.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.755 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -151.2 159.95 28.44 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.587 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.54 ' HB3' ' HG2' ' A' ' 39' ' ' ARG . 90.3 m95 -74.84 135.25 41.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.69 0.281 . . . . 0.0 110.71 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.538 HG11 HD11 ' A' ' 23' ' ' LEU . 34.6 m -135.4 162.39 37.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.378 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 58.5 p -83.44 113.47 46.91 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.69 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.13 -7.99 22.37 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.274 1.982 . . . . 0.0 112.521 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.99 -40.36 87.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.259 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -93.14 13.66 20.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.956 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.8 mp -106.86 143.36 35.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.164 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -124.72 119.43 28.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.534 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.439 ' N ' ' HD3' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -55.14 136.92 47.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.002 -179.809 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 -142.91 127.55 18.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.459 ' N ' HD12 ' A' ' 66' ' ' LEU . 4.9 mp -114.14 135.8 53.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.757 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.4 ' NZ ' ' HB3' ' A' ' 67' ' ' LYS . 6.7 mtpm? 60.26 -177.92 0.1 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.111 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.403 ' N ' HD12 ' A' ' 68' ' ' LEU . 7.6 mp . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.162 -0.923 . . . . 0.0 110.825 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 47.6 mm . . . . . 0 N--CA 1.485 1.289 0 CA-C-O 120.847 0.355 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -69.84 -174.43 0.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.805 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -122.12 106.61 11.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.857 0.36 . . . . 0.0 111.58 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.646 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 25.3 mt -84.36 115.11 25.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.371 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -94.52 140.35 29.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.372 179.57 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -101.58 135.91 35.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.128 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.413 HG21 ' HB3' ' A' ' 23' ' ' LEU . 47.5 t -86.75 111.17 21.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.875 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.424 ' HA ' ' HG3' ' A' ' 25' ' ' GLU . 69.2 p -119.47 17.05 12.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.346 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -127.29 -4.91 6.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.36 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.415 ' HB2' ' HB2' ' A' ' 25' ' ' GLU . 18.4 t70 60.82 97.73 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.013 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -98.23 90.26 4.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.837 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 tt -115.69 104.72 52.66 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.606 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -59.37 150.3 75.8 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.556 2.171 . . . . 0.0 112.437 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.423 HD12 ' N ' ' A' ' 14' ' ' LEU . 5.2 mp -119.82 97.39 5.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 120.08 -115.49 2.99 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.625 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -113.92 125.46 54.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.797 0.332 . . . . 0.0 111.023 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -82.32 136.15 35.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.052 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -111.77 98.9 7.72 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.598 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 56.62 22.3 6.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.047 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -111.31 172.08 7.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.219 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.5 tt -132.94 142.51 42.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 52.3 m -73.36 128.41 35.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.214 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.413 ' HB3' HG21 ' A' ' 7' ' ' VAL . 95.4 mt -129.77 121.9 27.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.761 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.422 ' N ' ' HD3' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -91.73 144.24 25.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.809 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.424 ' HG3' ' HA ' ' A' ' 8' ' ' THR . 33.0 tt0 -58.39 105.88 0.33 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.827 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 126.49 11.56 3.68 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.259 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -101.32 151.94 21.29 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 120.873 0.368 . . . . 0.0 110.992 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.415 ' HB2' ' HZ1' ' A' ' 45' ' ' LYS . 39.5 m-85 -116.56 140.25 49.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.422 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 43' ' ' ARG . 2.2 p -159.36 122.65 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.894 0.378 . . . . 0.0 111.961 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.646 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 10.1 pt-20 -76.52 153.0 35.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.859 178.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.706 ' HA ' HG12 ' A' ' 42' ' ' VAL . 11.6 p -89.06 142.72 12.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.244 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.534 HD21 ' HD2' ' A' ' 43' ' ' ARG . 75.6 mt -98.57 -60.27 1.58 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.227 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -71.65 -75.17 0.13 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.396 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.34 91.05 0.06 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.014 -179.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -160.67 -64.05 0.06 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.213 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 57.5 m80 -92.67 113.4 59.46 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.006 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -48.86 -24.19 6.81 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 122.668 2.245 . . . . 0.0 112.767 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -52.63 -65.93 0.47 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.203 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -148.43 133.99 18.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.117 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 26.4 m0 -116.84 147.28 42.27 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.449 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 49.2 tp -86.41 120.29 27.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.194 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.706 HG12 ' HA ' ' A' ' 31' ' ' VAL . 14.6 m -135.71 150.84 28.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.658 -179.148 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.534 ' HD2' HD21 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -133.44 130.09 38.17 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.185 179.071 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.432 HG22 ' HB ' ' A' ' 29' ' ' VAL . 28.6 p -74.72 160.85 30.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.293 -179.44 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.415 ' HZ1' ' HB2' ' A' ' 28' ' ' TYR . 32.7 mtmm -73.01 133.42 81.8 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.063 -179.743 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -78.06 156.64 30.26 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.588 2.192 . . . . 0.0 112.684 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 30.3 p -96.89 -154.48 0.45 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.74 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -80.73 -3.19 49.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.491 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 79.4 p -155.78 -10.74 0.11 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.699 -0.228 . . . . 0.0 111.522 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.5 m -92.25 115.3 64.48 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.01 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -64.34 159.25 44.69 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.602 2.201 . . . . 0.0 112.286 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.9 m -76.0 123.92 26.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.063 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 88.2 mtt180 -111.63 136.56 50.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -119.82 129.93 54.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -147.38 143.08 10.84 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.553 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 40.1 m95 -76.85 119.5 20.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.771 0.319 . . . . 0.0 110.877 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 31.6 m -128.13 169.41 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 53.9 m -84.5 112.46 42.16 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.809 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.457 ' HA ' HD22 ' A' ' 62' ' ' LEU . 61.7 Cg_endo -72.62 -1.15 9.89 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.284 1.989 . . . . 0.0 112.466 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.77 -29.72 70.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.102 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -98.24 13.64 30.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.633 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.457 HD22 ' HA ' ' A' ' 59' ' ' PRO . 5.7 mp -105.86 165.68 11.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.114 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -121.96 140.38 52.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.841 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 51.9 ttp180 -80.39 118.51 22.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.289 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 69.6 mtp180 -136.33 149.53 48.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.571 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 91.7 mt -111.6 144.38 40.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.24 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 66.1 mttm 59.72 179.18 0.09 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.014 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 38.8 tp . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.315 -0.85 . . . . 0.0 110.823 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 65.2 mt . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.786 0.327 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 58.9 -169.21 0.13 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -122.2 110.2 15.43 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.85 0.357 . . . . 0.0 111.606 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.643 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 41.8 mt -84.41 135.52 24.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.281 179.625 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -120.35 131.94 55.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.538 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.1 p -93.22 141.48 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.171 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.5 t -94.24 123.52 46.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.785 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.409 ' HA ' ' HG3' ' A' ' 25' ' ' GLU . 70.8 p -130.1 14.76 5.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.403 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -122.2 3.09 9.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.289 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.8 t70 52.9 68.98 0.75 Allowed 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.785 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -86.21 95.84 9.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.929 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.495 HD12 ' HD2' ' A' ' 13' ' ' PRO . 47.6 tp -109.29 123.23 37.31 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.788 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.495 ' HD2' HD12 ' A' ' 12' ' ' LEU . 45.0 Cg_exo -58.14 147.24 84.54 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.408 2.072 . . . . 0.0 112.292 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.446 HD12 ' N ' ' A' ' 14' ' ' LEU . 4.6 mp -95.98 96.04 8.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.471 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.38 -175.03 42.3 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.34 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.94 105.65 17.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.819 0.342 . . . . 0.0 111.081 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -110.06 149.0 30.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.782 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -79.71 145.01 33.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.039 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 58.77 23.21 10.93 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.0 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -107.91 162.52 13.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.344 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.9 tt -141.07 140.77 32.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.795 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.0 p -84.58 128.72 34.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.365 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.531 HD11 HG11 ' A' ' 57' ' ' VAL . 32.7 mt -109.91 163.99 13.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.993 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -134.08 133.28 40.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.721 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.409 ' HG3' ' HA ' ' A' ' 8' ' ' THR . 36.7 tt0 -61.72 101.12 0.17 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.744 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.82 11.17 4.51 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.344 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -101.37 162.01 13.21 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 120.889 0.376 . . . . 0.0 111.206 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.445 ' HB3' HG21 ' A' ' 4' ' ' ILE . 66.0 m-85 -123.6 141.42 52.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.619 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.408 HG22 ' HB ' ' A' ' 42' ' ' VAL . 2.6 p -159.27 123.79 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.041 0.448 . . . . 0.0 112.178 -179.641 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.643 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 9.9 pt-20 -76.56 153.44 35.38 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.722 178.6 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.598 HG21 ' HB2' ' A' ' 34' ' ' ALA . 13.7 p -90.13 144.33 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.107 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.3 mt -105.2 -72.92 0.69 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.961 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.585 ' HB3' ' HB3' ' A' ' 41' ' ' LEU . 18.2 t70 -83.47 -79.57 0.2 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.917 -178.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.598 ' HB2' HG21 ' A' ' 31' ' ' VAL . . . 62.3 102.35 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.708 -179.112 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -125.25 -62.6 1.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.351 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.439 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 45.7 m-70 -96.09 139.95 22.02 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 -179.655 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 36' ' ' HIS . 50.7 Cg_exo -58.17 -21.06 49.56 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.842 2.361 . . . . 0.0 112.529 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -58.16 -55.84 29.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.774 -179.898 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.2 ptt180 -144.6 139.95 28.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.965 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 36.8 m0 -113.91 139.62 49.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.725 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.585 ' HB3' ' HB3' ' A' ' 33' ' ' ASP . 57.2 tp -84.74 126.83 33.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.468 179.671 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.563 HG12 ' HA ' ' A' ' 31' ' ' VAL . 22.6 m -136.28 164.52 31.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.993 0.425 . . . . 0.0 111.573 -179.662 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -141.98 112.03 6.88 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.267 179.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.3 p -57.89 150.07 21.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.007 0.432 . . . . 0.0 111.65 -179.126 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? -74.58 136.37 74.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.9 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -81.92 115.11 2.67 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.537 2.158 . . . . 0.0 112.446 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 60.8 p -68.66 99.16 0.97 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.991 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt 64.41 -78.66 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.488 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 63.9 m -133.71 28.74 3.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.827 0.346 . . . . 0.0 111.292 -179.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 32.6 t -84.43 133.99 43.58 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.21 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -55.59 114.86 2.08 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.77 2.313 . . . . 0.0 112.169 179.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.9 t -74.58 129.56 37.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.988 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 -110.57 137.4 48.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.054 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.536 ' HG2' HD11 ' A' ' 41' ' ' LEU . 17.0 tt0 -118.99 126.33 51.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.507 179.715 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -152.56 163.45 30.34 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.889 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 71.7 m95 -86.08 136.79 33.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.636 0.255 . . . . 0.0 110.409 179.369 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.531 HG11 HD11 ' A' ' 23' ' ' LEU . 29.4 m -137.67 172.32 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.868 0.366 . . . . 0.0 111.578 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.5 p -92.93 122.53 63.55 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.757 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.78 -10.39 19.95 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.402 2.068 . . . . 0.0 112.71 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.07 -27.04 68.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.333 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -106.32 17.11 23.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.1 mp -111.12 138.65 47.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.11 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -106.71 127.29 53.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.735 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 30.8 ttm180 -62.77 120.5 11.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -139.09 115.31 10.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.662 ' H ' HD23 ' A' ' 66' ' ' LEU . 1.6 pt? -109.4 140.98 42.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -104.07 -176.65 3.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.928 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 58.8 mt . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.69 179.86 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 74.7 mt . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.813 0.34 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.505 ' HB3' ' HB2' ' A' ' 30' ' ' GLU . 32.7 m-85 -69.58 159.78 32.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.688 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -122.28 111.03 16.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.28 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.614 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 35.8 mt -84.64 112.71 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.098 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -94.99 145.2 25.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.007 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.2 p -110.71 135.34 50.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.119 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.0 t -78.73 116.72 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.93 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.412 ' HA ' ' HG3' ' A' ' 25' ' ' GLU . 76.7 p -120.79 14.24 11.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.206 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -132.82 3.73 3.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.115 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.7 t70 56.33 90.44 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -89.34 93.24 9.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.948 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tt -104.87 107.15 57.81 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.507 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -58.32 124.22 15.37 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.359 2.039 . . . . 0.0 112.413 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 80.3 mt -77.33 95.23 4.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.907 0.384 . . . . 0.0 110.213 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 100.1 -166.22 19.97 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.837 -0.696 . . . . 0.0 112.442 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.41 104.03 13.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.723 0.297 . . . . 0.0 110.982 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -105.11 144.79 31.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.001 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -72.43 146.02 47.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.952 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 60.42 14.15 4.56 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.203 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -103.43 153.2 20.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.168 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.4 tt -130.29 142.88 42.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.948 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 82.1 p -86.57 135.46 33.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.192 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.6 mt -128.65 158.73 37.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.408 ' N ' ' HD3' ' A' ' 24' ' ' ARG . 0.2 OUTLIER -126.16 144.91 50.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.734 179.815 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.412 ' HG3' ' HA ' ' A' ' 8' ' ' THR . 36.3 tt0 -61.65 106.21 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 126.6 12.88 3.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.47 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -101.3 167.54 10.12 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 120.779 0.323 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -129.96 137.34 50.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.838 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.7 p -159.79 123.52 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.79 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.614 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 10.9 pt-20 -76.29 153.61 35.78 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.226 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.644 ' HA ' HG12 ' A' ' 42' ' ' VAL . 10.2 p -90.5 143.91 10.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.4 HD11 ' HD3' ' A' ' 43' ' ' ARG . 71.7 mt -102.12 -78.75 0.53 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.997 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -100.58 132.18 46.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.96 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -131.56 123.85 28.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.072 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -153.4 -60.09 0.14 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.089 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -91.73 119.9 68.27 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -53.81 -24.01 29.2 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.704 2.27 . . . . 0.0 112.57 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.2 -62.78 1.52 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.285 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -142.8 143.48 32.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.877 0.37 . . . . 0.0 111.389 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 40.0 m0 -121.27 151.62 39.82 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.893 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 67.4 tp -82.87 118.08 23.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.47 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.644 HG12 ' HA ' ' A' ' 31' ' ' VAL . 22.6 m -133.28 148.96 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 0.0 111.483 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.4 ' HD3' HD11 ' A' ' 32' ' ' LEU . 34.7 ptt180 -131.14 123.61 28.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.995 0.426 . . . . 0.0 110.271 179.395 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.4 p -70.55 148.55 48.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.338 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.481 ' HB3' ' NZ ' ' A' ' 45' ' ' LYS . 7.3 mtpm? -67.37 114.52 19.45 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.429 ' HG3' ' HB3' ' A' ' 52' ' ' SER . 49.1 Cg_endo -68.66 158.32 58.23 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.382 2.054 . . . . 0.0 112.16 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.1 p -112.86 -170.43 1.67 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.07 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.452 ' HB2' ' NZ ' ' A' ' 48' ' ' LYS . 9.6 mtmp? -75.98 2.93 11.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.055 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 79.5 p -145.21 -4.76 0.7 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.201 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 58.3 m -116.57 118.42 37.1 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.12 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -64.15 159.3 43.71 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.627 2.218 . . . . 0.0 112.093 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.429 ' HB3' ' HG3' ' A' ' 46' ' ' PRO . 86.3 p -75.69 118.62 18.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -118.37 156.66 28.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.633 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -144.87 134.66 23.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.997 0.427 . . . . 0.0 111.324 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -149.52 152.2 24.2 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.058 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 55.6 m95 -73.92 131.85 41.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.841 0.353 . . . . 0.0 110.98 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.0 m -127.56 167.57 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.096 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 63.1 m -98.69 114.09 65.03 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.813 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -68.98 -7.11 19.91 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.327 2.018 . . . . 0.0 112.494 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.86 -4.72 42.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.221 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -124.9 1.55 8.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.738 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.6 mp -110.14 147.3 33.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.206 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -105.08 146.33 29.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.77 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 49.3 ttp180 -79.52 120.95 24.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.16 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 60.7 ttt180 -140.9 111.92 7.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.026 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.543 HD13 ' H ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -131.27 144.65 51.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.726 179.65 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -65.0 120.35 12.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.072 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.472 HD12 ' N ' ' A' ' 68' ' ' LEU . 5.4 mp . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.351 -0.833 . . . . 0.0 110.815 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 74.9 mt . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.843 0.354 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.477 ' HB3' ' HB2' ' A' ' 30' ' ' GLU . 39.4 m-85 -95.63 156.54 16.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.679 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -121.83 113.02 19.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.395 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.61 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 52.1 mt -84.37 110.96 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.787 179.621 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -94.62 144.6 25.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.702 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -104.3 139.17 26.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.258 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 62.3 t -93.41 110.47 23.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.067 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.1 p -117.61 21.37 13.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.059 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -121.8 8.36 9.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.134 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.4 t70 53.65 67.84 0.94 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.723 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -79.64 95.45 5.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.769 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 65.2 tp -113.38 113.78 48.27 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -58.57 150.25 70.42 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.484 2.123 . . . . 0.0 112.516 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.01 95.05 10.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.18 0.514 . . . . 0.0 110.652 179.261 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.87 -122.07 18.43 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.541 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -103.49 108.84 20.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.708 0.289 . . . . 0.0 110.997 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -116.61 121.89 43.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.812 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -66.32 147.56 53.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.023 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 58.12 23.34 10.03 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.13 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -121.18 155.03 35.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.169 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.8 tt -127.63 138.22 55.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.6 t -58.4 135.6 57.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.98 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.9 mt -144.77 156.32 43.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.212 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.4 mtm180 -140.31 154.76 46.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.856 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -63.48 97.33 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.651 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 129.24 19.74 1.51 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.388 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -101.52 147.4 26.43 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 120.751 0.31 . . . . 0.0 110.826 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -117.98 137.63 52.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.686 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.468 HG22 ' HB ' ' A' ' 42' ' ' VAL . 3.1 p -159.2 124.4 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 112.038 -179.296 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.61 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 11.4 pt-20 -74.31 153.52 39.31 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.861 178.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.512 ' HA ' HG12 ' A' ' 42' ' ' VAL . 13.4 p -96.17 135.17 31.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.291 -179.746 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 80.6 mt -91.38 -67.36 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.842 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -105.68 145.36 31.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.023 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -110.8 16.87 21.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.034 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.06 130.59 47.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.303 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 61.23 104.6 0.03 OUTLIER Pre-proline 0 CA--C 1.532 0.274 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.953 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -54.22 -23.27 29.08 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.737 2.291 . . . . 0.0 112.926 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 56.4 tp -55.24 -55.54 30.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.046 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -139.48 125.97 20.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.973 0.416 . . . . 0.0 111.04 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 44.3 m0 -102.85 144.21 31.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.171 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 64.4 tp -80.27 133.35 35.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.105 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.512 HG12 ' HA ' ' A' ' 31' ' ' VAL . 32.9 m -134.29 161.2 41.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.039 0.447 . . . . 0.0 111.891 -179.323 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.417 ' C ' HG23 ' A' ' 29' ' ' VAL . 35.9 ttp180 -140.44 111.68 7.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.388 179.673 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.43 ' HA ' HG23 ' A' ' 29' ' ' VAL . 46.8 p -58.21 140.91 52.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.498 -179.309 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -76.42 125.23 87.82 Favored Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.915 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo -78.94 -171.2 1.18 Allowed 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.361 2.041 . . . . 0.0 112.378 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 47.3 p -130.71 34.49 4.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.864 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.3 tptm 65.79 4.88 3.1 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.833 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 44.3 t -148.67 -22.16 0.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.036 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 47.5 t -92.07 124.33 60.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.031 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.17 123.52 13.84 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.573 2.182 . . . . 0.0 112.242 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 83.3 p -71.14 150.01 45.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -132.43 147.23 52.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.148 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -123.65 129.37 51.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.787 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -151.14 155.14 25.98 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.477 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 55.9 m95 -88.62 121.66 31.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.675 0.274 . . . . 0.0 110.722 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.3 t -123.95 157.75 30.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.166 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.461 ' O ' HD13 ' A' ' 62' ' ' LEU . 51.8 m -79.47 119.97 78.74 Favored Pre-proline 0 CA--C 1.53 0.209 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.773 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -70.16 -15.6 35.64 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.504 2.136 . . . . 0.0 112.203 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.81 -41.67 82.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.985 -179.54 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -96.47 16.33 18.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.583 -179.255 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.461 HD13 ' O ' ' A' ' 58' ' ' SER . 6.5 mp -104.65 153.59 21.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.061 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -126.9 121.05 30.68 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.846 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.594 ' H ' ' HD3' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -57.36 142.62 42.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -139.19 114.86 9.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 pp -87.0 144.46 26.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.061 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -126.07 139.01 53.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.124 -0.941 . . . . 0.0 110.773 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 37.5 pt . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.74 0.305 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 56.38 93.21 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.114 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.461 ' O ' ' HA ' ' A' ' 30' ' ' GLU . 10.2 m-20 -91.54 111.65 23.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.008 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.575 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 42.5 mt -84.19 116.58 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.332 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -94.53 144.09 25.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.507 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -104.89 125.93 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.987 0.422 . . . . 0.0 111.027 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.538 ' HB ' ' H ' ' A' ' 26' ' ' GLY . 61.8 t -78.02 124.67 36.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.65 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 60.9 p -117.96 21.11 13.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.297 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.46 ' O ' ' HB2' ' A' ' 10' ' ' ASP . . . -127.93 -71.83 0.64 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.342 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.46 ' HB2' ' O ' ' A' ' 9' ' ' ALA . 18.2 t70 165.74 -64.5 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.217 -179.305 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 38.7 t80 59.92 79.21 0.24 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.322 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.428 HD12 HG23 ' A' ' 22' ' ' THR . 45.0 tp -118.02 123.81 29.23 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.591 179.456 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.412 ' HD2' HD12 ' A' ' 12' ' ' LEU . 31.7 Cg_exo -59.38 127.26 23.25 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 122.155 1.903 . . . . 0.0 112.23 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.3 mt -96.77 96.6 8.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.608 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.26 -154.14 16.67 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.253 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -103.03 97.92 7.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.794 0.33 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -125.28 108.17 11.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.414 ' O ' ' HB3' ' A' ' 19' ' ' ASP . 85.9 mm-40 -94.98 97.13 9.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.653 179.718 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.414 ' HB3' ' O ' ' A' ' 18' ' ' GLN . 4.8 p-10 170.18 -35.22 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.031 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -96.7 162.18 13.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.004 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 10.4 tt -110.82 125.1 68.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.428 HG23 HD12 ' A' ' 12' ' ' LEU . 37.7 m -61.44 112.26 2.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.179 -179.763 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 78.4 mt -110.01 166.14 11.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.962 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -128.04 147.95 50.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.595 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -55.29 96.96 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.538 ' H ' ' HB ' ' A' ' 7' ' ' VAL . . . 116.07 31.59 1.86 Allowed Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.873 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -101.71 144.38 30.49 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 120.736 0.303 . . . . 0.0 111.174 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -103.54 131.04 51.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.615 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.5 HG22 ' HB ' ' A' ' 42' ' ' VAL . 2.6 p -159.51 124.1 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.515 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.575 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 1.4 pm0 -79.95 153.29 29.04 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.283 179.447 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.67 ' HA ' HG12 ' A' ' 42' ' ' VAL . 14.9 p -86.73 144.39 9.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.259 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 82.0 mt -104.86 -68.23 0.87 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.179 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -57.9 -74.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.413 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 58.75 78.92 0.23 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -169.7 -36.75 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.169 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -86.4 112.19 44.46 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.933 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_exo -55.36 -25.07 46.01 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.475 2.117 . . . . 0.0 112.571 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 66.3 mt -67.76 -72.17 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.428 ' HD3' ' HB3' ' A' ' 56' ' ' TRP . 17.7 ptp180 -141.81 148.98 39.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.812 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 20.2 m0 -115.67 146.47 41.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.419 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 23.9 tp -84.29 117.23 23.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.23 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.67 HG12 ' HA ' ' A' ' 31' ' ' VAL . 16.0 m -124.52 151.94 30.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.582 -179.359 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.435 ' C ' HG23 ' A' ' 29' ' ' VAL . 22.3 ptt180 -132.75 127.83 35.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.462 179.353 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.416 HG22 ' HB ' ' A' ' 29' ' ' VAL . 44.7 p -72.8 154.41 40.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.852 0.358 . . . . 0.0 111.196 -179.662 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -71.84 140.04 83.42 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.965 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -82.33 126.33 4.81 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.445 2.096 . . . . 0.0 112.392 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.6 t -127.85 139.22 52.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.013 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? 63.67 45.35 4.62 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.792 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.5 t 57.06 27.83 13.96 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.369 179.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 47.6 t -86.14 133.85 40.01 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.149 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -56.58 125.46 19.09 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.877 2.384 . . . . 0.0 112.114 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.7 p -68.67 113.74 6.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.191 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 58.9 mtm180 -91.87 160.7 15.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.684 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -149.65 131.58 15.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.968 0.413 . . . . 0.0 111.12 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -150.62 160.98 28.84 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.503 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.428 ' HB3' ' HD3' ' A' ' 39' ' ' ARG . 75.4 m95 -77.77 134.7 37.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.781 0.324 . . . . 0.0 110.956 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.2 m -132.65 166.2 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.237 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 52.5 m -98.93 113.48 64.6 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.697 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.483 ' HA ' ' HB2' ' A' ' 62' ' ' LEU . 32.9 Cg_endo -64.08 -6.95 12.32 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.351 2.034 . . . . 0.0 112.562 -179.662 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.61 -15.08 63.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.075 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -124.38 14.41 8.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.483 ' HB2' ' HA ' ' A' ' 59' ' ' PRO . 10.6 mp -113.74 142.99 45.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.092 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -124.09 119.08 28.44 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.804 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 36.1 ptt180 -62.51 139.83 58.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.046 0.451 . . . . 0.0 111.164 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 -144.05 132.95 22.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.852 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.436 ' N ' HD12 ' A' ' 66' ' ' LEU . 6.0 mp -103.81 95.41 6.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.554 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -134.85 125.42 26.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.817 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.506 ' N ' HD23 ' A' ' 68' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.539 -0.743 . . . . 0.0 110.993 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.425 HD11 ' HB2' ' A' ' 68' ' ' LEU . 45.2 pt . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.78 0.324 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.533 ' HB2' ' HB2' ' A' ' 30' ' ' GLU . 57.8 m-85 -120.64 -171.54 2.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.962 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -85.11 102.05 12.94 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.625 -179.379 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.672 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 17.8 mt -84.64 135.2 25.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.224 179.547 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.413 ' HB2' HD23 ' A' ' 62' ' ' LEU . 64.1 m-85 -110.28 159.7 17.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.575 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.7 p -113.84 131.15 66.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.022 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.646 HG21 ' HG3' ' A' ' 27' ' ' GLN . 2.8 t -77.61 130.7 35.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.5 p -139.55 18.09 2.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.636 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -136.58 -0.9 2.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.692 0.282 . . . . 0.0 111.425 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.1 t70 58.17 92.28 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -93.83 85.93 4.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.016 0.436 . . . . 0.0 110.346 179.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.7 tp -111.46 110.8 55.38 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.774 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -58.58 146.62 90.56 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.177 1.918 . . . . 0.0 112.108 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.625 ' H ' HD23 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -95.92 95.66 8.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.115 0.483 . . . . 0.0 110.519 179.628 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.42 -120.23 5.09 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.541 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -110.41 105.38 14.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.761 0.315 . . . . 0.0 111.22 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.408 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 8.9 tp10 -99.37 141.27 32.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.659 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -78.17 123.17 26.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.015 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 54.16 62.57 2.52 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.991 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.408 ' HB3' ' HB3' ' A' ' 17' ' ' GLU . . . -142.27 167.6 21.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.214 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 12.3 tt -136.32 133.2 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.878 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 65.5 m -67.98 130.09 41.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.459 HD22 ' NE2' ' A' ' 27' ' ' GLN . 23.7 mt -134.77 169.24 17.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.268 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.9 mtp180 -134.6 145.76 48.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.952 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -66.69 106.04 1.72 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.557 ' H ' ' HB ' ' A' ' 7' ' ' VAL . . . 129.38 8.75 3.5 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.901 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.646 ' HG3' HG21 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -103.74 166.75 10.23 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.958 0.408 . . . . 0.0 111.065 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.431 ' HB3' ' CG2' ' A' ' 4' ' ' ILE . 24.4 m-85 -120.76 143.2 48.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.662 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.427 HG22 ' HB ' ' A' ' 42' ' ' VAL . 2.7 p -155.87 123.26 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-O 121.005 0.431 . . . . 0.0 111.844 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.672 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 11.9 pt-20 -77.29 153.76 33.59 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.37 179.292 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.646 ' HA ' HG12 ' A' ' 42' ' ' VAL . 13.9 p -94.38 144.35 9.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.045 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.421 HD21 ' HG2' ' A' ' 43' ' ' ARG . 66.9 mt -102.2 -81.4 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.317 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.473 ' OD2' ' HB3' ' A' ' 35' ' ' ALA . 29.2 t0 -62.02 -53.39 56.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.321 -179.454 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 60.73 23.25 13.15 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.612 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.473 ' HB3' ' OD2' ' A' ' 33' ' ' ASP . . . -99.57 156.09 17.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.149 179.771 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 64.9 108.96 0.03 OUTLIER Pre-proline 0 CA--C 1.531 0.243 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.991 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -52.59 -24.73 23.47 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 122.851 2.367 . . . . 0.0 112.858 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 50.4 tp -54.24 -71.14 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.977 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -140.24 143.58 36.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.791 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 35.2 m0 -110.44 142.95 41.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.488 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 42.4 tp -80.22 123.79 28.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.773 178.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.646 HG12 ' HA ' ' A' ' 31' ' ' VAL . 16.8 m -134.67 155.18 38.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.124 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.548 ' HB3' ' HB3' ' A' ' 54' ' ' GLN . 6.6 ptp180 -130.18 121.86 27.05 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.197 178.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.2 p -65.44 146.58 54.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.948 0.404 . . . . 0.0 111.323 -179.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -71.88 126.07 91.46 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.125 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -75.39 -168.61 0.55 Allowed 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.258 1.972 . . . . 0.0 112.11 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 32.8 p -107.67 -75.37 0.63 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.134 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.429 ' H ' ' H ' ' A' ' 49' ' ' SER . 26.2 ttpp -170.15 -11.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.056 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.429 ' H ' ' H ' ' A' ' 48' ' ' LYS . 60.2 m -143.29 -7.09 0.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.823 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 41.7 t -96.17 125.47 47.91 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -60.7 127.74 23.54 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.744 2.296 . . . . 0.0 112.184 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.3 p -71.31 134.84 47.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.055 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 31.4 mmm180 -109.81 158.63 17.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.803 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.548 ' HB3' ' HB3' ' A' ' 43' ' ' ARG . 12.3 pt20 -140.83 131.16 25.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.048 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -149.44 158.88 27.84 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.543 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 36.7 m95 -79.97 120.16 23.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.802 0.335 . . . . 0.0 110.67 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.7 m -119.17 171.84 6.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.299 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.7 m -93.18 108.18 30.95 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.787 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.2 -1.89 9.58 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.376 2.051 . . . . 0.0 112.344 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.47 -13.75 62.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.202 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -117.59 -0.68 11.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.058 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.413 HD23 ' HB2' ' A' ' 5' ' ' TYR . 6.0 mp -102.3 141.37 35.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.226 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -104.87 133.09 50.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.793 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -74.55 115.03 13.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.037 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 27.8 mmm180 -138.29 115.89 11.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.785 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 68.4 tp -130.39 121.45 25.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.041 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -70.86 -28.67 64.75 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.752 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.425 ' HB2' HD11 ' A' ' 1' ' ' ILE . 6.5 tt . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.642 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 32.6 pt . . . . . 0 N--CA 1.485 1.276 0 CA-C-O 120.799 0.333 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.521 ' HB3' ' HB2' ' A' ' 30' ' ' GLU . 3.5 m-85 -130.19 138.17 50.45 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -104.39 106.59 17.14 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.23 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.653 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 63.6 mt -83.96 116.63 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.089 0.471 . . . . 0.0 111.55 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -97.35 126.91 42.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.619 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -91.26 136.03 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.001 0.429 . . . . 0.0 111.352 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 48.6 t -86.93 125.03 40.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.709 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.438 ' HA ' ' HG3' ' A' ' 25' ' ' GLU . 71.8 p -136.71 18.55 3.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.364 -179.684 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -125.09 8.37 7.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.289 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.43 ' HA ' ' HB2' ' A' ' 25' ' ' GLU . 19.6 t70 56.38 90.24 0.04 OUTLIER 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.786 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.404 ' C ' HD12 ' A' ' 12' ' ' LEU . 50.6 t80 -105.58 92.7 4.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.412 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 10.4 mp -117.39 133.46 23.22 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 12' ' ' LEU . 36.8 Cg_exo -61.04 134.99 56.11 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.369 2.046 . . . . 0.0 112.266 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.526 HD12 ' O ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -97.55 96.37 8.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.08 0.467 . . . . 0.0 110.856 179.466 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.13 -107.31 2.68 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.381 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -123.22 102.23 7.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.753 0.311 . . . . 0.0 111.165 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -105.9 153.51 21.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.644 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.0 mp0 -88.78 140.18 29.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.349 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 40.27 39.58 0.69 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.85 179.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -110.25 132.28 54.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.898 0.38 . . . . 0.0 111.197 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.446 ' HB ' ' HA3' ' A' ' 55' ' ' GLY . 14.0 tt -102.47 142.75 16.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.008 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 82.1 p -68.31 112.6 5.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.8 mt -123.84 148.63 46.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.017 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -119.65 147.07 44.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.701 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.438 ' HG3' ' HA ' ' A' ' 8' ' ' THR . 41.8 tt0 -63.03 104.09 0.53 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.057 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 126.67 17.15 2.38 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.411 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -101.22 168.01 9.84 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 120.843 0.354 . . . . 0.0 111.209 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.448 ' HB3' HG21 ' A' ' 4' ' ' ILE . 44.8 m-85 -130.43 138.76 50.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.844 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.445 ' N ' HG23 ' A' ' 4' ' ' ILE . 3.3 p -159.18 123.71 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-O 120.939 0.4 . . . . 0.0 112.029 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.653 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 12.0 pt-20 -74.6 153.9 38.8 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.272 179.166 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.697 ' HA ' HG12 ' A' ' 42' ' ' VAL . 13.6 p -92.47 144.93 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.095 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.432 HD11 ' HG2' ' A' ' 43' ' ' ARG . 47.1 mt -108.55 -79.25 0.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.77 -179.298 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -64.38 -72.54 0.14 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.89 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.421 ' HB2' HG21 ' A' ' 31' ' ' VAL . . . 63.19 92.74 0.06 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.376 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -150.65 -73.13 0.16 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.305 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -61.84 116.44 21.18 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.677 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -50.05 -27.24 16.32 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.815 2.344 . . . . 0.0 112.907 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 45.1 tp -61.16 -62.13 2.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.258 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -145.68 153.79 41.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.981 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 39.8 m0 -120.68 149.43 42.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.3 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 36.0 tp -80.77 118.84 22.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.364 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.697 HG12 ' HA ' ' A' ' 31' ' ' VAL . 9.8 m -135.49 143.07 37.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.53 -179.515 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.447 ' HG3' ' O ' ' A' ' 43' ' ' ARG . 4.5 ptp180 -118.45 125.34 49.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.187 179.362 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 57.5 p -67.45 135.08 52.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.866 0.365 . . . . 0.0 111.114 -179.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -62.89 140.18 97.41 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.75 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -88.74 119.6 1.07 Allowed 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 122.715 2.276 . . . . 0.0 112.448 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.7 t -93.85 136.37 34.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.916 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.3 tptp 62.63 -81.6 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.124 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 52.1 m -156.38 26.81 0.35 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.928 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 77.6 p -80.57 133.63 55.71 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.95 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -54.67 139.35 76.7 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.887 2.391 . . . . 0.0 112.207 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.3 p -93.48 132.97 37.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.097 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -126.21 156.61 39.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.844 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -127.79 128.75 45.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.273 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.446 ' HA3' ' HB ' ' A' ' 21' ' ' ILE . . . -140.68 145.32 16.0 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 121.032 -0.604 . . . . 0.0 112.238 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 61.5 m95 -75.15 118.22 17.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.772 0.32 . . . . 0.0 110.796 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.513 HG12 ' H ' ' A' ' 58' ' ' SER . 1.9 t -112.38 168.94 4.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -179.758 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.513 ' H ' HG12 ' A' ' 57' ' ' VAL . 49.9 m -96.91 104.25 17.91 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.736 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 58' ' ' SER . 29.3 Cg_endo -63.86 -7.62 13.63 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.392 2.061 . . . . 0.0 112.538 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.37 -1.9 25.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.997 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -132.24 13.7 4.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.981 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.443 ' HA ' HD13 ' A' ' 62' ' ' LEU . 2.3 mm? -100.85 179.36 4.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.154 0.502 . . . . 0.0 111.661 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -145.66 144.51 30.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.236 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -70.89 125.67 27.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.974 0.416 . . . . 0.0 111.196 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -141.23 114.96 9.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.377 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.458 HD13 ' N ' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -105.32 131.44 52.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.207 -179.52 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.458 ' N ' HD13 ' A' ' 66' ' ' LEU . 5.1 mptp? -101.25 78.51 1.9 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.635 179.452 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 48.5 tp . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.274 -0.869 . . . . 0.0 110.791 -179.881 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.647 0.26 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -122.32 110.23 15.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.864 0.364 . . . . 0.0 111.623 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.564 HG12 ' HB3' ' A' ' 30' ' ' GLU . 42.9 mt -85.41 114.46 25.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.108 179.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -97.77 158.82 15.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.695 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -124.63 141.29 45.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.47 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.8 t -85.87 108.72 17.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.821 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.7 p -109.67 17.56 21.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.479 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -141.89 12.27 2.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.395 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.2 t70 63.78 152.91 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.962 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -151.0 93.6 1.95 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.888 0.375 . . . . 0.0 110.972 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.548 HD21 HH11 ' A' ' 24' ' ' ARG . 95.0 mt -116.27 109.31 44.49 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.913 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -57.89 120.12 7.81 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.423 2.082 . . . . 0.0 112.45 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 83.8 mt -87.6 96.6 10.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.634 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.17 -138.72 14.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.422 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -118.12 108.94 15.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.779 0.323 . . . . 0.0 111.163 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -108.92 126.41 53.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.624 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.652 HE21 ' H ' ' A' ' 19' ' ' ASP . 22.3 tp60 -82.5 142.07 32.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.962 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.652 ' H ' HE21 ' A' ' 18' ' ' GLN . 28.9 m-20 61.34 24.22 14.36 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.09 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -112.75 158.79 19.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.271 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.452 ' HB ' ' HA3' ' A' ' 55' ' ' GLY . 17.4 tt -130.47 144.65 37.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.873 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 78.2 p -77.95 149.98 34.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.022 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.496 HD11 HG11 ' A' ' 57' ' ' VAL . 55.8 mt -145.77 152.63 39.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.237 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.548 HH11 HD21 ' A' ' 12' ' ' LEU . 29.0 mmm180 -119.24 138.96 52.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.654 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -57.22 99.83 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 126.21 20.82 1.95 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.243 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -101.02 161.35 13.66 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 120.76 0.314 . . . . 0.0 111.028 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -122.74 135.06 54.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.736 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.422 HG23 ' HA ' ' A' ' 44' ' ' THR . 3.0 p -159.54 123.49 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.975 0.417 . . . . 0.0 111.954 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.564 ' HB3' HG12 ' A' ' 4' ' ' ILE . 10.0 pt-20 -78.85 153.24 30.76 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.983 179.118 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.504 ' HA ' HG12 ' A' ' 42' ' ' VAL . 14.1 p -90.21 135.75 25.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.917 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 83.7 mt -85.7 -66.55 0.89 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.111 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -138.75 151.66 47.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.042 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -102.58 108.3 19.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.016 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -92.19 -77.91 0.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.297 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -113.39 145.17 32.72 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.972 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -56.68 -21.7 40.58 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.69 2.26 . . . . 0.0 112.259 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.456 HD12 ' N ' ' A' ' 38' ' ' LEU . 6.7 mp -68.86 -49.53 57.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.953 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.541 ' HE ' ' HB3' ' A' ' 56' ' ' TRP . 12.5 ptm180 -147.11 132.25 18.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 25.0 m0 -103.64 155.85 18.25 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.236 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 38.1 tp -79.4 126.24 30.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.636 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.504 HG12 ' HA ' ' A' ' 31' ' ' VAL . 29.5 m -138.49 154.32 27.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.314 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -141.57 116.97 10.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.77 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.422 ' HA ' HG23 ' A' ' 29' ' ' VAL . 65.1 p -58.79 154.69 14.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.196 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -91.61 132.11 34.21 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.973 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo . . . . . 0 C--N 1.349 0.584 0 C-N-CA 122.313 2.009 . . . . 0.0 112.204 179.847 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo . . . . . 0 C--O 1.232 0.188 0 CA-C-O 120.783 0.243 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 77.8 p -82.1 126.08 31.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.996 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -109.65 148.1 31.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -123.58 127.14 47.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.128 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.452 ' HA3' ' HB ' ' A' ' 21' ' ' ILE . . . -151.76 151.76 23.62 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.325 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.541 ' HB3' ' HE ' ' A' ' 39' ' ' ARG . 78.0 m95 -77.42 135.79 38.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.634 0.255 . . . . 0.0 110.539 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.496 HG11 HD11 ' A' ' 23' ' ' LEU . 26.6 m -131.23 166.05 29.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.28 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 52.9 m -92.28 119.85 67.93 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.51 -3.67 13.87 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.415 2.077 . . . . 0.0 112.643 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.42 -5.03 42.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.105 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -128.04 6.8 6.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.6 mp -109.25 131.51 55.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.901 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -109.08 146.41 34.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.799 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 -62.39 126.81 28.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.843 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -142.25 136.75 30.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.815 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.6 pp . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.232 -179.832 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.502 ' HB3' ' HB2' ' A' ' 30' ' ' GLU . 86.0 m-85 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.702 0.287 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -122.27 111.35 16.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.863 0.363 . . . . 0.0 111.447 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.638 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 45.6 mt -84.51 136.55 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -114.54 160.12 19.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.664 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.69 135.35 63.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.391 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.0 t -87.56 125.94 41.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.763 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.7 p -129.93 18.48 5.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.273 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -135.43 8.06 3.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.323 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.5 t70 57.14 90.34 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.755 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -103.54 98.55 8.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.027 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 pp -117.1 142.39 29.93 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.726 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.484 ' HD3' ' HA ' ' A' ' 22' ' ' THR . 39.8 Cg_exo -58.85 120.35 8.18 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.44 2.094 . . . . 0.0 112.404 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 86.3 mt -81.64 95.88 7.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.238 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 86.67 -122.3 6.07 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.173 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -127.24 102.33 6.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.815 0.341 . . . . 0.0 111.137 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -109.83 153.07 24.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -95.56 144.94 25.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.02 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 58.96 21.25 9.03 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.09 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -108.34 148.6 29.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.183 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.49 ' HB ' ' HA3' ' A' ' 55' ' ' GLY . 17.8 tt -121.94 147.72 25.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.835 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.484 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 45.6 m -83.79 115.67 22.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.378 -179.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 76.0 mt -110.03 154.89 22.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.721 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -118.68 143.62 46.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.688 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -61.38 101.89 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.771 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 120.0 17.62 4.51 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.332 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -101.33 144.02 30.67 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 120.784 0.326 . . . . 0.0 111.01 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.406 ' HB3' HG21 ' A' ' 4' ' ' ILE . 56.3 m-85 -108.89 139.31 43.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.682 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.484 HG23 ' C ' ' A' ' 43' ' ' ARG . 2.1 p -159.2 123.52 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.464 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.638 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 11.0 pt-20 -75.5 153.48 37.49 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.94 178.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.469 ' HA ' HG12 ' A' ' 42' ' ' VAL . 14.5 p -92.43 142.61 12.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.252 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.412 HD12 HE21 ' A' ' 54' ' ' GLN . 71.2 mt -106.08 -70.44 0.79 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.884 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -115.1 166.57 11.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -110.36 -61.61 1.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.941 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 59.76 -87.11 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.409 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -87.75 119.56 70.63 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.595 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -51.08 -28.44 24.96 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.714 2.276 . . . . 0.0 112.664 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.3 tt -72.53 -63.57 1.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.741 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -113.09 130.02 56.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 30.7 m0 -105.76 154.86 19.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.223 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 64.1 tp -80.33 130.95 35.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.426 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.469 HG12 ' HA ' ' A' ' 31' ' ' VAL . 27.1 m -135.01 155.42 38.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.922 0.391 . . . . 0.0 111.402 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.484 ' C ' HG23 ' A' ' 29' ' ' VAL . 42.3 ttp180 -136.97 111.73 8.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.63 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 65.2 p -53.54 121.98 8.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.338 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -64.94 116.93 34.08 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.689 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo . . . . . 0 C--N 1.349 0.553 0 C-N-CA 122.47 2.114 . . . . 0.0 112.767 -179.672 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.692 0.205 . . . . 0.0 112.323 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.4 t -85.61 142.83 28.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.782 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -134.58 157.03 47.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.948 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.412 HE21 HD12 ' A' ' 32' ' ' LEU . 46.8 mt-30 -127.12 131.72 50.74 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.49 ' HA3' ' HB ' ' A' ' 21' ' ' ILE . . . -151.27 162.39 29.49 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.65 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 52.4 m95 -104.31 115.34 30.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.745 0.307 . . . . 0.0 110.711 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.5 m -130.45 166.76 27.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.253 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.1 m -84.54 115.12 59.08 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.02 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.41 ' HA ' HD22 ' A' ' 62' ' ' LEU . 58.5 Cg_endo -71.12 -2.44 11.12 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.385 2.057 . . . . 0.0 112.439 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.68 -37.87 85.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.041 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -90.89 8.0 37.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.721 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' A' ' 59' ' ' PRO . 4.9 mp -100.97 167.63 10.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.084 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -133.75 137.13 45.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.752 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 65.4 mtm180 -65.61 133.98 52.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.258 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 63.6 ttt-85 -137.4 126.83 24.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.664 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 98.7 mt . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.017 179.939 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.735 0.302 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -118.17 102.92 9.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.391 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.638 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 37.5 mt -84.53 133.04 30.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.002 179.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -111.48 156.34 21.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.935 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.6 p -119.49 128.1 75.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.033 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.9 t -80.23 113.64 19.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.438 ' HA ' ' HG3' ' A' ' 25' ' ' GLU . 41.4 p -128.21 32.73 4.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.415 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -149.52 3.89 0.58 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.634 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 61.58 111.86 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.102 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -127.9 102.99 7.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.087 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 29.8 tp -117.26 122.25 31.33 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.808 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 12' ' ' LEU . 31.4 Cg_exo -59.4 138.6 85.23 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.381 2.054 . . . . 0.0 112.264 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.0 mt -106.63 96.6 6.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.698 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.35 -139.12 14.71 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.516 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -122.02 109.53 14.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.782 0.325 . . . . 0.0 111.093 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -112.23 115.3 28.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -76.22 148.38 37.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 57.91 20.16 6.45 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.314 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -105.64 170.59 7.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.821 0.343 . . . . 0.0 111.053 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 17.2 tt -137.5 137.36 45.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.948 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.1 t -71.56 147.17 47.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.067 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.47 HD11 HG11 ' A' ' 57' ' ' VAL . 96.0 mt -132.0 156.15 46.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.009 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 -137.35 139.98 41.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.732 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.438 ' HG3' ' HA ' ' A' ' 8' ' ' THR . 38.9 tt0 -59.04 103.98 0.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.08 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 127.32 4.7 5.8 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.698 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -101.45 155.59 17.97 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 120.866 0.365 . . . . 0.0 111.154 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -118.43 140.58 49.64 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.535 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.466 HG23 ' HA ' ' A' ' 44' ' ' THR . 2.4 p -159.04 123.89 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -179.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.638 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 9.5 pt-20 -74.96 153.23 38.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.054 178.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.523 ' HA ' HG12 ' A' ' 42' ' ' VAL . 14.8 p -94.94 144.66 9.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.219 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 93.1 mt -104.98 -71.42 0.74 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.529 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -60.72 -77.97 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.791 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.52 87.34 0.1 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.996 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -143.04 -73.86 0.28 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.326 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 71.6 m80 -84.25 125.02 73.29 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -51.79 -23.01 14.81 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.669 2.246 . . . . 0.0 112.56 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.27 -66.62 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.426 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.517 HH21 ' HB2' ' A' ' 56' ' ' TRP . 10.8 ptm180 -145.15 144.15 30.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.292 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 50.8 m0 -122.23 154.36 37.62 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.313 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 37.7 tp -92.07 102.1 14.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.133 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.523 HG12 ' HA ' ' A' ' 31' ' ' VAL . 33.2 m -107.43 151.51 9.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.488 -179.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.482 ' HE ' ' HG2' ' A' ' 54' ' ' GLN . 39.0 ttm180 -129.0 114.64 16.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.494 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.466 ' HA ' HG23 ' A' ' 29' ' ' VAL . 80.4 p -54.86 127.73 29.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.879 0.371 . . . . 0.0 111.233 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.464 ' NZ ' ' HB2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -74.55 122.06 86.65 Favored Pre-proline 0 CA--C 1.532 0.282 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.997 -179.801 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo . . . . . 0 C--N 1.349 0.586 0 C-N-CA 122.484 2.122 . . . . 0.0 112.448 179.932 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo . . . . . 0 C--O 1.232 0.223 0 CA-C-O 120.825 0.261 . . . . 0.0 112.186 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.3 p -84.27 117.96 23.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.096 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -126.34 151.06 48.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.555 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.482 ' HG2' ' HE ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -115.66 131.1 57.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.056 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -150.97 150.96 23.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.52 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.517 ' HB2' HH21 ' A' ' 39' ' ' ARG . 88.2 m95 -76.62 121.86 23.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.827 0.346 . . . . 0.0 110.904 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.47 HG11 HD11 ' A' ' 23' ' ' LEU . 30.9 m -131.27 171.81 17.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.206 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.0 p -95.78 118.22 66.04 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.829 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -73.23 -6.73 19.4 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.283 1.989 . . . . 0.0 112.312 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.88 -32.99 74.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.2 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -93.74 9.84 35.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.939 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.8 mp -113.56 148.04 36.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -111.21 133.61 53.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.725 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -60.06 130.79 48.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.935 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -136.85 107.14 6.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.736 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 88.4 mt . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.016 -179.845 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.524 ' HB2' ' HB2' ' A' ' 30' ' ' GLU . 59.2 m-85 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.601 0.239 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -98.15 107.13 19.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.797 0.332 . . . . 0.0 111.745 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.64 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 44.4 mt -85.24 117.67 30.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.371 179.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -95.35 126.02 40.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.633 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -85.16 133.62 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.024 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.5 t -85.03 123.98 39.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.955 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.4 p -129.39 14.64 6.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.057 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -130.77 13.24 5.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.28 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.7 t70 68.74 -70.59 0.13 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.349 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 56.5 t80 65.55 84.75 0.15 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.034 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.87 107.57 43.97 Favored Pre-proline 0 CA--C 1.532 0.255 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.628 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -59.32 138.03 82.08 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.351 2.034 . . . . 0.0 112.351 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.0 mt -98.71 96.53 7.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.477 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.48 -168.79 14.89 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.246 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.36 103.21 15.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.718 0.294 . . . . 0.0 111.017 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -99.81 149.05 23.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.856 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -75.8 146.09 40.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.1 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.1 p30 43.51 30.8 0.37 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.493 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -101.23 167.04 10.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 16.8 tt -143.9 142.53 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.951 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 73.4 p -88.64 143.46 26.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.176 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.474 HD11 HG11 ' A' ' 57' ' ' VAL . 97.0 mt -135.7 168.68 18.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -134.36 142.11 47.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.748 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -60.3 103.77 0.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.568 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.84 13.98 3.56 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.229 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -100.96 155.29 18.05 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.951 0.405 . . . . 0.0 111.144 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -123.24 138.39 54.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.276 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.449 HG23 ' HA ' ' A' ' 44' ' ' THR . 2.4 p -154.81 123.7 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.64 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 10.3 pt-20 -75.54 153.66 37.3 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.715 178.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.484 ' HA ' HG12 ' A' ' 42' ' ' VAL . 7.1 p -92.9 134.8 29.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.275 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.501 HD11 ' HB2' ' A' ' 43' ' ' ARG . 68.4 mt -85.01 -67.84 0.77 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.678 179.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -112.21 156.97 21.47 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.069 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -153.46 117.52 4.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.086 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -157.34 -18.47 0.09 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.303 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 -117.55 113.13 38.65 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.087 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -53.67 -23.86 27.6 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.646 2.231 . . . . 0.0 112.416 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 tt -60.04 -69.44 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.723 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -144.31 127.15 16.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 12.6 m0 -94.99 153.05 17.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.2 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 59.4 tp -80.94 122.83 27.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.454 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.484 HG12 ' HA ' ' A' ' 31' ' ' VAL . 33.7 m -126.09 162.77 29.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 121.073 0.463 . . . . 0.0 111.898 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.501 ' HB2' HD11 ' A' ' 32' ' ' LEU . 29.0 ttt180 -142.41 111.7 6.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.528 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.449 ' HA ' HG23 ' A' ' 29' ' ' VAL . 30.5 p -58.42 148.04 29.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.301 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.43 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 58.3 mtpt -84.59 143.09 40.6 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.745 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 45' ' ' LYS . 58.8 Cg_endo . . . . . 0 N--CA 1.454 -0.796 0 C-N-CA 122.803 2.335 . . . . 0.0 112.67 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo . . . . . 0 C--O 1.231 0.149 0 CA-C-O 120.854 0.272 . . . . 0.0 112.228 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.8 m -79.19 149.12 32.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 30.8 tpt180 -128.0 139.65 52.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.73 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -112.16 127.1 55.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.156 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -152.32 163.13 30.15 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.254 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 80.1 m95 -89.79 128.19 36.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.707 0.289 . . . . 0.0 110.588 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.474 HG11 HD11 ' A' ' 23' ' ' LEU . 35.3 m -121.72 163.57 19.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.425 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 59.8 m -94.78 117.19 66.94 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.833 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.474 ' HA ' ' HB2' ' A' ' 62' ' ' LEU . 40.2 Cg_endo -67.5 -10.24 28.05 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.458 2.105 . . . . 0.0 112.457 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.33 -32.57 74.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.152 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -105.05 3.68 30.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.823 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.474 ' HB2' ' HA ' ' A' ' 59' ' ' PRO . 8.4 mp -109.51 147.39 33.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.04 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -122.64 122.38 38.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.92 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -63.69 141.81 58.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.726 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -139.42 128.4 23.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.926 0.393 . . . . 0.0 111.453 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 C--N 1.331 -0.207 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.59 179.411 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.772 0.32 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -122.24 109.67 14.76 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.307 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.638 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 36.9 mt -84.77 115.45 26.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.917 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -94.69 142.67 27.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.771 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.5 p -101.93 135.03 40.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 38.5 t -94.01 116.73 35.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.5 p -120.83 10.0 10.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.997 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -116.11 21.64 13.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.169 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.446 ' HA ' ' HB2' ' A' ' 25' ' ' GLU . 9.6 m-20 64.01 -80.13 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.203 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 42.3 t80 61.76 83.6 0.15 Allowed 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.235 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 mp -117.53 108.66 42.92 Favored Pre-proline 0 C--N 1.332 -0.189 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.092 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -58.6 131.35 41.91 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.184 1.922 . . . . 0.0 112.084 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.7 mt -90.86 96.21 10.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.907 0.384 . . . . 0.0 110.772 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.11 -164.49 13.16 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.302 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -103.17 100.15 10.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.813 0.339 . . . . 0.0 110.961 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -100.66 138.67 37.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -72.9 143.05 47.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 57.85 22.98 9.19 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.182 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -119.32 137.45 53.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.178 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.0 tt -114.6 138.56 44.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.6 p -74.1 137.97 43.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.741 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.401 HD11 HG11 ' A' ' 57' ' ' VAL . 84.5 mt -132.77 145.81 51.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.168 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -120.41 143.98 48.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.596 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.446 ' HB2' ' HA ' ' A' ' 10' ' ' ASP . 0.7 OUTLIER -55.21 101.28 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.592 179.875 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.97 17.36 2.78 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.578 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -101.28 134.9 43.64 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 120.84 0.352 . . . . 0.0 111.161 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -104.22 139.43 39.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.517 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.8 p -159.39 123.98 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.638 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 10.0 pt-20 -74.75 153.53 38.77 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.143 179.059 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.566 ' HA ' HG12 ' A' ' 42' ' ' VAL . 11.9 p -95.4 140.68 16.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.18 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 67.4 mt -96.39 -69.29 0.76 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.653 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -125.24 166.53 16.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.751 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -113.83 -56.65 2.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 59.58 -87.03 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.288 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -104.0 126.48 31.64 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.667 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.572 ' HA ' ' HE1' ' A' ' 40' ' ' TRP . 71.2 Cg_exo -53.5 -23.86 26.42 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.633 2.222 . . . . 0.0 112.715 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.5 tt -57.36 -55.04 39.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -137.06 138.69 40.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.941 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.572 ' HE1' ' HA ' ' A' ' 37' ' ' PRO . 54.8 m0 -109.98 153.04 25.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 49.8 tp -85.98 130.23 34.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.481 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.566 HG12 ' HA ' ' A' ' 31' ' ' VAL . 34.4 m -145.05 139.42 22.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.754 0.311 . . . . 0.0 111.653 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.517 ' HB3' ' HB3' ' A' ' 54' ' ' GLN . 14.0 ptm180 -124.03 115.64 21.53 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.307 179.122 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.9 p -65.22 154.87 36.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.232 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -84.6 139.81 38.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.676 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo . . . . . 0 C--N 1.347 0.467 0 C-N-CA 122.267 1.978 . . . . 0.0 112.233 -179.93 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo . . . . . 0 C--O 1.232 0.197 0 CA-C-O 120.794 0.248 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.6 t -67.12 124.93 24.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.152 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 53' ' ' ARG . 20.9 mtm180 -118.21 125.02 49.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.638 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.517 ' HB3' ' HB3' ' A' ' 43' ' ' ARG . 8.0 pt20 -99.84 134.77 42.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.0 0.429 . . . . 0.0 111.365 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -151.25 138.43 6.57 Favored Glycine 0 N--CA 1.451 -0.321 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.19 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 60.9 m95 -74.51 125.06 27.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.73 0.3 . . . . 0.0 110.728 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.401 HG11 HD11 ' A' ' 23' ' ' LEU . 34.9 m -132.85 172.08 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.217 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 56.6 m -85.47 113.38 50.5 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.929 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -71.02 -2.82 11.67 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.466 2.111 . . . . 0.0 112.534 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.41 -11.36 59.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.177 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -117.3 3.8 12.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.698 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.5 mp -114.39 136.18 53.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.385 -179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -117.84 131.87 56.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.317 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -55.59 149.83 13.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.962 0.41 . . . . 0.0 111.032 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 27.0 ttt180 -143.63 127.07 16.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.847 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.2 tp . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.968 -179.858 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.478 ' HB3' ' HB2' ' A' ' 30' ' ' GLU . 52.2 m-85 . . . . . 0 CA--C 1.528 0.119 0 CA-C-O 120.635 0.255 . . . . 0.0 110.638 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -122.14 111.29 16.8 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.218 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.651 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 46.5 mt -84.54 122.68 38.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.539 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -95.91 155.11 16.89 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.624 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 63' ' ' ASP . 13.1 p -121.28 138.73 50.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.109 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.7 t -88.8 119.1 35.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.8 p -127.28 17.51 7.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.117 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -132.73 2.97 3.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.394 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.1 t70 60.31 101.95 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.2 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -102.95 93.3 4.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.789 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 76.6 mt -112.99 105.28 55.81 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.685 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.436 ' HG2' HG22 ' A' ' 22' ' ' THR . 36.2 Cg_exo -58.73 128.98 30.1 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.47 2.113 . . . . 0.0 112.485 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 86.1 mt -91.6 96.24 10.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.59 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.85 -137.64 14.03 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.525 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -126.66 109.18 11.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.757 0.313 . . . . 0.0 111.085 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -106.22 124.44 49.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -63.0 149.45 44.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.264 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.2 p30 43.87 31.86 0.54 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.695 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -115.89 148.51 39.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.866 0.365 . . . . 0.0 111.042 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 14.2 tt -117.12 140.94 37.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.944 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.436 HG22 ' HG2' ' A' ' 13' ' ' PRO . 70.8 p -80.99 147.39 30.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.183 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.498 HD11 HG11 ' A' ' 57' ' ' VAL . 90.1 mt -139.1 166.56 24.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.174 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -135.86 143.04 44.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.577 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -60.17 106.97 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.69 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 120.49 17.91 4.22 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.422 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -101.21 166.02 10.99 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 120.88 0.371 . . . . 0.0 111.123 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.44 ' HB3' HG21 ' A' ' 4' ' ' ILE . 32.7 m-85 -133.01 135.45 45.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.768 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.434 ' N ' HG23 ' A' ' 4' ' ' ILE . 2.4 p -159.63 123.79 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.525 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.651 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 0.6 OUTLIER -76.84 153.39 34.86 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.137 179.277 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.569 ' HA ' HG12 ' A' ' 42' ' ' VAL . 12.7 p -87.68 143.22 11.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.176 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.588 HD11 ' HB2' ' A' ' 43' ' ' ARG . 97.1 mt -94.11 -73.0 0.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.852 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -94.51 -173.63 3.1 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -144.31 11.76 1.53 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.226 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.25 147.04 50.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.297 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 71.3 m80 59.68 98.31 0.04 OUTLIER Pre-proline 0 CA--C 1.53 0.197 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.403 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -52.79 -25.19 26.13 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 122.561 2.174 . . . . 0.0 112.37 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 61.2 tp -60.26 -66.12 0.57 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.967 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -125.6 135.78 52.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 18.5 m0 -112.42 152.27 28.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.791 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.9 tp -79.77 136.84 36.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.586 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.569 HG12 ' HA ' ' A' ' 31' ' ' VAL . 27.0 m -142.98 150.22 18.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.917 0.389 . . . . 0.0 111.545 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.588 ' HB2' HD11 ' A' ' 32' ' ' LEU . 40.5 ttm180 -136.88 111.9 8.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.436 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.406 ' HA ' HG23 ' A' ' 29' ' ' VAL . 44.9 p -57.74 155.89 9.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.515 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -85.71 133.98 40.64 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.844 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo . . . . . 0 C--N 1.347 0.467 0 C-N-CA 122.47 2.113 . . . . 0.0 112.451 179.965 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo . . . . . 0 C--O 1.231 0.142 0 CA-C-O 120.861 0.275 . . . . 0.0 112.399 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.7 p -91.66 126.68 36.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.073 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -102.74 160.41 14.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -132.69 127.04 33.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.715 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -152.28 163.52 30.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.514 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 77.2 m95 -92.81 129.44 38.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.738 0.304 . . . . 0.0 110.602 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.498 HG11 HD11 ' A' ' 23' ' ' LEU . 35.8 m -130.45 162.65 37.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.819 0.343 . . . . 0.0 111.461 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 52.6 m -90.33 114.75 62.18 Favored Pre-proline 0 CA--C 1.531 0.227 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.739 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -71.71 -0.45 8.36 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.328 2.019 . . . . 0.0 112.458 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.06 -4.45 28.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.182 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -130.21 9.24 5.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.994 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -109.62 156.28 20.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.383 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.407 ' O ' HG12 ' A' ' 6' ' ' VAL . 17.8 t70 -126.21 110.55 13.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.159 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 20.3 ptp180 -56.61 149.23 17.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.011 0.434 . . . . 0.0 111.402 -179.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.541 ' HE ' ' H ' ' A' ' 66' ' ' LEU . 6.0 tpm_? -141.18 138.37 33.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.51 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.541 ' H ' ' HE ' ' A' ' 65' ' ' ARG . 5.2 mp . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.798 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.476 ' HB3' ' HB2' ' A' ' 30' ' ' GLU . 92.7 m-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.645 0.259 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -122.18 105.26 10.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.873 0.368 . . . . 0.0 111.54 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.641 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 47.6 mt -84.97 114.73 25.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.025 179.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -94.67 141.53 28.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.72 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.1 p -102.1 132.99 46.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.027 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.8 t -85.89 112.77 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.949 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.5 p -118.74 20.88 12.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.27 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -137.33 9.94 2.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.306 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.1 t70 62.75 162.27 0.09 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.797 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -161.73 93.38 0.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 63.4 tp -117.22 107.74 44.94 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.03 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -57.78 144.09 94.12 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.458 2.105 . . . . 0.0 112.549 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.2 mt -88.43 95.77 10.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.542 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.78 -134.45 18.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.367 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.46 112.71 24.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.775 0.321 . . . . 0.0 110.805 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -120.23 129.37 54.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.766 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.401 ' OE1' ' N ' ' A' ' 18' ' ' GLN . 14.1 mp0 -86.96 149.62 24.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.067 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 60.99 23.6 13.75 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.043 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -123.5 158.88 30.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.024 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.9 tt -135.9 133.52 50.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.8 t -58.63 137.23 57.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.43 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.4 mt -147.26 168.3 22.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.847 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -139.83 159.48 42.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.918 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -72.05 101.83 2.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.61 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 127.76 15.07 2.44 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.437 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -101.2 155.68 17.87 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 120.828 0.347 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -118.94 138.29 52.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.769 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.418 HG22 ' HB ' ' A' ' 42' ' ' VAL . 2.8 p -158.48 123.93 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-O 120.975 0.417 . . . . 0.0 112.033 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.641 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 11.4 pt-20 -75.16 153.46 38.19 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.821 178.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.51 ' HA ' HG12 ' A' ' 42' ' ' VAL . 13.2 p -95.17 136.27 26.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.286 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.1 mt -93.83 -52.05 4.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.881 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -139.31 173.79 11.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.05 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -124.73 -69.24 0.81 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 60.65 -85.37 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.665 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -90.89 118.04 68.34 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.984 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.544 ' HA ' ' HE1' ' A' ' 40' ' ' TRP . 74.4 Cg_exo -54.37 -26.2 42.92 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.699 2.266 . . . . 0.0 112.499 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 98.1 mt -61.87 -44.89 95.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.015 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -145.04 131.64 19.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.172 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.544 ' HE1' ' HA ' ' A' ' 37' ' ' PRO . 52.7 m0 -106.6 145.95 31.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.436 HD11 ' HG2' ' A' ' 54' ' ' GLN . 55.7 tp -80.29 131.98 35.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.924 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.51 HG12 ' HA ' ' A' ' 31' ' ' VAL . 31.5 m -135.76 160.98 39.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.59 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.41 ' C ' HG23 ' A' ' 29' ' ' VAL . 52.7 ttp180 -137.03 111.94 8.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.48 179.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.411 ' HA ' HG23 ' A' ' 29' ' ' VAL . 34.9 p -62.71 158.21 19.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.327 -179.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -86.64 127.95 58.5 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.869 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo . . . . . 0 C--N 1.349 0.58 0 C-N-CA 122.457 2.105 . . . . 0.0 112.593 -179.938 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo . . . . . 0 C--O 1.232 0.201 0 CA-C-O 120.733 0.222 . . . . 0.0 112.083 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.3 t -72.41 123.05 22.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.044 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -109.41 145.12 36.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.552 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.436 ' HG2' HD11 ' A' ' 41' ' ' LEU . 27.9 tt0 -122.76 127.28 48.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.855 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -151.92 162.69 29.83 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.661 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 79.0 m95 -89.91 138.51 31.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.684 0.278 . . . . 0.0 110.535 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.4 m -134.57 171.96 16.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.346 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 59.9 p -94.09 111.15 52.07 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.692 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.47 -3.4 12.4 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.301 2.001 . . . . 0.0 112.483 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.6 -3.4 30.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.119 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -132.83 13.54 4.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.7 mp -110.74 143.63 40.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.466 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -116.02 127.25 54.76 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.507 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -73.63 130.86 40.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.985 0.422 . . . . 0.0 111.396 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.6 mtp180 -142.27 141.46 32.47 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.487 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 85.6 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.073 -179.832 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 . . . . . 0 N--CA 1.461 0.123 0 CA-C-O 120.932 0.396 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.486 ' O ' ' HA ' ' A' ' 30' ' ' GLU . 12.5 t0 -95.86 103.62 15.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.605 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.595 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 42.8 mt -83.85 138.24 19.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.986 0.422 . . . . 0.0 111.436 -179.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -120.88 160.08 24.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.533 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.7 p -122.95 130.42 74.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.099 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 49.0 t -82.47 121.41 35.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.703 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.436 ' HA ' ' HG2' ' A' ' 25' ' ' GLU . 79.0 p -127.84 29.71 5.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.246 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -144.12 10.11 1.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.31 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 55.88 93.69 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.066 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.418 ' C ' HD22 ' A' ' 12' ' ' LEU . 55.7 t80 -91.28 82.43 5.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.867 0.365 . . . . 0.0 110.847 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.418 HD22 ' C ' ' A' ' 11' ' ' TYR . 4.1 mm? -115.92 108.98 45.61 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.1 133.94 56.37 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.33 2.02 . . . . 0.0 112.212 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 78.3 mt -102.46 96.75 7.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.667 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 114.21 -164.72 12.04 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.275 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.43 97.7 10.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.797 0.332 . . . . 0.0 111.082 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -109.53 153.03 24.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.456 ' CD ' ' H ' ' A' ' 18' ' ' GLN . 5.4 pm0 -104.59 148.51 26.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.596 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 59.83 18.6 7.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -107.49 125.79 51.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.157 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 14.7 tt -102.71 139.3 24.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.1 p -80.17 125.06 29.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.534 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.7 mt -127.57 142.58 51.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.951 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -106.4 133.62 50.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.773 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.436 ' HG2' ' HA ' ' A' ' 8' ' ' THR . 2.1 tm-20 -51.74 115.09 1.48 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.716 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 117.12 13.36 7.73 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.291 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -101.25 152.73 20.32 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 120.806 0.336 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -117.01 137.7 52.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.482 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.441 ' HB ' HG22 ' A' ' 44' ' ' THR . 2.2 p -159.0 124.48 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -179.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.595 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 0.2 OUTLIER -80.41 153.14 28.46 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.392 178.633 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.535 ' HA ' HG12 ' A' ' 42' ' ' VAL . 11.9 p -87.5 137.04 21.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.896 0.379 . . . . 0.0 111.483 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.4 mt -87.98 -77.22 0.36 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.883 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -102.56 129.7 49.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -101.45 105.41 16.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -145.48 125.89 14.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 33.7 m80 63.78 109.69 0.03 OUTLIER Pre-proline 0 CA--C 1.532 0.262 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.983 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -51.54 -23.88 15.7 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.723 2.282 . . . . 0.0 112.699 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.8 mt -56.01 -55.52 31.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.174 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.584 HH21 ' HB2' ' A' ' 56' ' ' TRP . 11.5 ptm180 -146.07 131.34 18.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.083 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 21.9 m0 -111.85 155.38 23.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.035 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 54.0 tp -85.8 120.14 26.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.671 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.535 HG12 ' HA ' ' A' ' 31' ' ' VAL . 22.2 m -128.66 158.58 40.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.888 0.375 . . . . 0.0 111.601 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -139.52 111.79 7.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.441 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.441 HG22 ' HB ' ' A' ' 29' ' ' VAL . 24.7 p -68.62 152.31 45.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.967 0.413 . . . . 0.0 111.6 -179.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -73.59 120.56 81.79 Favored Pre-proline 0 CA--C 1.531 0.232 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.758 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.4 ' HB3' ' N ' ' A' ' 52' ' ' SER . 27.8 Cg_endo . . . . . 0 C--N 1.349 0.599 0 C-N-CA 122.367 2.045 . . . . 0.0 112.426 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo . . . . . 0 C--O 1.232 0.208 0 CA-C-O 120.797 0.249 . . . . 0.0 112.26 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.4 ' N ' ' HB3' ' A' ' 46' ' ' PRO . 41.1 t -66.78 150.41 49.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.164 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -130.24 116.14 17.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.889 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -104.25 127.7 51.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.796 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -151.34 163.09 29.77 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.621 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.584 ' HB2' HH21 ' A' ' 39' ' ' ARG . 47.0 m95 -86.94 125.93 34.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.738 0.304 . . . . 0.0 110.438 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 33.1 m -122.87 167.68 16.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.407 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 57.0 m -97.83 118.46 63.94 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.826 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -68.88 -4.24 13.0 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.365 2.043 . . . . 0.0 112.638 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.53 -8.42 51.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.247 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -126.72 8.92 6.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.688 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.2 mp -106.68 142.93 35.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.225 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -114.64 149.11 37.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.847 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -80.73 123.01 27.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.503 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.4 ' HD2' HH11 ' A' ' 65' ' ' ARG . 11.3 ptm180 -143.43 130.1 20.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.947 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.534 ' N ' HD23 ' A' ' 66' ' ' LEU . 1.4 pt? . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 121.03 0.443 . . . . 0.0 110.878 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.51 ' HB3' ' HB2' ' A' ' 30' ' ' GLU . 66.8 m-85 . . . . . 0 N--CA 1.463 0.185 0 CA-C-O 120.845 0.355 . . . . 0.0 110.953 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.444 ' HB2' HG12 ' A' ' 31' ' ' VAL . 10.7 m-20 -122.39 100.69 7.07 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.333 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.652 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 65.7 mt -84.38 111.67 20.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.999 179.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -94.82 127.88 41.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.8 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.0 p -85.75 132.24 32.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.108 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 47.3 t -83.72 119.56 33.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.667 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.8 t -135.05 23.38 3.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.371 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -130.52 2.35 4.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.069 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.6 t70 61.81 109.32 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.987 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -118.59 91.4 3.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.936 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.42 HD12 ' HD2' ' A' ' 13' ' ' PRO . 57.8 tp -117.31 118.15 35.91 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.42 ' HD2' HD12 ' A' ' 12' ' ' LEU . 34.7 Cg_exo -59.03 150.22 74.43 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.379 2.053 . . . . 0.0 112.447 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.465 ' N ' HD12 ' A' ' 14' ' ' LEU . 4.9 mp -104.79 96.41 6.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.773 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.73 -137.95 13.64 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.546 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -118.89 106.58 12.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.871 0.367 . . . . 0.0 111.027 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -116.61 147.75 41.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.951 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -87.82 148.6 24.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 58.87 23.39 11.3 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.069 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -112.55 130.11 56.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.225 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.401 ' HB ' ' HA3' ' A' ' 55' ' ' GLY . 16.3 tt -103.59 143.82 15.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.2 p -86.79 118.74 26.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.106 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.0 mt -118.43 159.57 23.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.978 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.5 mmm180 -125.57 145.36 50.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.74 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -62.49 98.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.833 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 129.01 14.79 2.19 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.379 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -101.12 152.76 20.23 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 120.928 0.394 . . . . 0.0 111.209 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -112.11 136.28 51.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.286 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.432 ' N ' HG23 ' A' ' 4' ' ' ILE . 3.6 p -158.99 124.53 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.851 0.358 . . . . 0.0 111.891 -179.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.652 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 0.4 OUTLIER -76.52 153.75 35.19 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.057 179.007 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.472 ' HA ' HG12 ' A' ' 42' ' ' VAL . 13.1 p -95.4 142.06 14.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.139 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 90.8 mt -102.94 -68.61 0.83 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.777 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.488 ' HB3' ' HB3' ' A' ' 41' ' ' LEU . 29.6 t70 -97.23 146.06 25.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.784 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -123.49 7.95 8.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.368 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.48 138.22 58.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.031 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 60.92 101.3 0.04 OUTLIER Pre-proline 0 CA--C 1.531 0.245 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.018 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.488 ' HA ' ' HE1' ' A' ' 40' ' ' TRP . 74.4 Cg_exo -52.34 -22.35 15.67 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.8 2.333 . . . . 0.0 112.773 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -49.67 -57.05 7.96 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.066 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -147.59 140.25 24.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.739 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.488 ' HE1' ' HA ' ' A' ' 37' ' ' PRO . 54.0 m0 -115.36 151.04 35.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.143 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.513 HD11 ' HB3' ' A' ' 54' ' ' GLN . 54.6 tp -84.66 138.72 32.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.458 179.398 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.472 HG12 ' HA ' ' A' ' 31' ' ' VAL . 32.4 m -139.76 155.79 25.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.964 0.412 . . . . 0.0 111.446 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -132.74 111.9 11.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.238 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.1 p -67.68 143.99 55.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.902 0.382 . . . . 0.0 111.146 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -63.82 119.63 56.36 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.718 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--N 1.35 0.605 0 C-N-CA 122.294 1.996 . . . . 0.0 112.422 -179.925 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo . . . . . 0 C--O 1.231 0.144 0 CA-C-O 120.8 0.25 . . . . 0.0 112.227 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 77.0 p -67.71 112.62 4.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.6 tpt180 -111.11 155.56 22.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.784 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.513 ' HB3' HD11 ' A' ' 41' ' ' LEU . 23.2 mt-30 -136.25 130.89 33.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.777 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.401 ' HA3' ' HB ' ' A' ' 21' ' ' ILE . . . -151.17 163.04 29.7 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.75 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -90.7 140.71 29.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.749 0.309 . . . . 0.0 110.741 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.0 m -138.82 170.89 15.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.384 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.6 m -99.59 113.94 65.28 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.568 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.401 ' HA ' ' HB2' ' A' ' 62' ' ' LEU . 46.0 Cg_endo -67.59 -5.68 14.79 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.334 2.023 . . . . 0.0 112.47 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.16 -17.44 63.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.119 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -118.54 12.82 13.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.401 ' HB2' ' HA ' ' A' ' 59' ' ' PRO . 7.9 mp -103.1 135.94 43.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.187 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -108.61 118.78 37.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.721 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.699 ' HD3' ' H ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -62.68 120.59 11.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.362 -179.697 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 65' ' ' ARG . 23.4 ttt180 -143.42 140.89 30.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.725 179.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 33.4 tp . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.034 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.514 ' HB3' ' HB2' ' A' ' 30' ' ' GLU . 31.0 m-85 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.699 0.285 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -121.75 111.97 17.81 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.825 0.345 . . . . 0.0 111.115 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.644 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 40.3 mt -84.26 136.65 22.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.294 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -112.89 145.44 40.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.626 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.9 p -107.31 128.93 61.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.989 0.423 . . . . 0.0 110.92 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 40.0 t -78.31 107.39 10.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.805 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 79.5 p -113.85 16.69 18.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.288 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -137.74 10.6 2.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.364 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.3 t70 63.65 158.88 0.08 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.149 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -157.91 88.5 0.97 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.824 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.47 HD12 ' HD2' ' A' ' 13' ' ' PRO . 47.8 tp -106.71 123.45 38.58 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.47 ' HD2' HD12 ' A' ' 12' ' ' LEU . 40.5 Cg_exo -58.79 148.16 84.78 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 122.368 2.045 . . . . 0.0 112.409 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.8 mt -99.06 95.94 7.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.603 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.91 -95.41 0.72 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.625 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -117.54 112.85 21.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.868 0.366 . . . . 0.0 111.161 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.427 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -82.62 134.61 35.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.113 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -109.56 117.09 33.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 58.96 18.25 6.07 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.983 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.427 ' HB3' ' HB2' ' A' ' 17' ' ' GLU . . . -114.3 165.64 12.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.017 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.6 tt -125.67 135.79 62.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.075 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.7 t -68.62 145.33 54.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.978 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.4 mt -146.28 169.26 19.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.106 0.479 . . . . 0.0 111.355 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.2 mtt180 -133.95 149.95 51.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.335 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -62.75 93.77 0.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.971 0.415 . . . . 0.0 110.625 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 136.21 17.61 0.78 Allowed Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.168 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -101.06 144.59 29.79 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 120.852 0.358 . . . . 0.0 110.808 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.433 ' HB3' HG21 ' A' ' 4' ' ' ILE . 13.3 m-85 -108.75 135.88 49.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.742 -179.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.481 HG22 ' HB ' ' A' ' 42' ' ' VAL . 2.8 p -157.59 123.54 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-O 120.98 0.419 . . . . 0.0 111.924 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.644 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 8.9 pt-20 -77.68 153.92 32.62 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.739 179.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.603 ' HA ' HG12 ' A' ' 42' ' ' VAL . 13.9 p -88.27 144.7 8.63 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.056 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 90.3 mt -112.76 -71.24 0.76 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.483 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.429 ' HB2' ' HB3' ' A' ' 41' ' ' LEU . 15.0 t70 -57.27 -75.14 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.64 -179.328 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.94 91.16 0.07 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.038 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -140.4 -70.63 0.38 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.287 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.483 ' ND1' ' HG ' ' A' ' 38' ' ' LEU . 2.2 t-80 -107.88 134.06 20.23 Favored Pre-proline 0 CA--C 1.531 0.23 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.813 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.424 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 88.8 Cg_exo -51.15 -21.16 8.79 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.769 2.313 . . . . 0.0 112.64 -179.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.483 ' HG ' ' ND1' ' A' ' 36' ' ' HIS . 60.6 mt -51.58 -69.43 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.353 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -147.71 132.9 18.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.176 -179.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 26.6 m0 -115.42 150.74 35.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.273 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.429 ' HB3' ' HB2' ' A' ' 33' ' ' ASP . 34.6 tp -87.23 117.64 26.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.037 179.094 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.603 HG12 ' HA ' ' A' ' 31' ' ' VAL . 18.0 m -126.17 150.36 31.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.839 0.352 . . . . 0.0 111.805 -179.202 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.471 ' C ' HG23 ' A' ' 29' ' ' VAL . 15.6 ttm180 -124.75 113.7 18.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.621 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.9 p -62.49 142.09 58.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.849 0.357 . . . . 0.0 111.194 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -72.68 130.56 85.36 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.139 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo . . . . . 0 C--N 1.349 0.581 0 C-N-CA 122.427 2.085 . . . . 0.0 112.09 179.687 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo . . . . . 0 C--O 1.231 0.147 0 CA-C-O 120.805 0.252 . . . . 0.0 112.103 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.7 p -75.91 127.23 32.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.962 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 -121.18 132.35 54.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.698 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.417 ' HB3' ' HB2' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -116.88 134.4 54.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.473 -179.727 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -150.11 154.9 25.95 Favored Glycine 0 N--CA 1.451 -0.331 0 CA-C-N 115.848 -0.614 . . . . 0.0 112.317 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 65.1 m95 -75.56 123.0 24.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.729 0.3 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 28.4 m -122.76 164.53 19.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.171 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.1 p -88.5 110.62 38.09 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.43 -7.77 21.84 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.498 2.132 . . . . 0.0 112.839 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.82 -14.1 62.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.097 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -116.38 11.75 15.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.716 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.0 mp -110.67 149.96 29.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.197 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -117.1 144.39 44.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.435 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.624 ' HD3' ' H ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -64.0 132.55 50.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.908 0.385 . . . . 0.0 111.071 -179.803 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -143.3 105.88 4.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.816 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.452 ' N ' HD12 ' A' ' 66' ' ' LEU . 6.7 mp . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.94 0.4 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.44 ' O ' ' HA ' ' A' ' 30' ' ' GLU . 10.7 m-20 -90.28 100.92 13.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.249 -179.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.561 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 46.4 mt -85.01 114.73 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.391 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -100.39 130.43 46.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.753 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.1 p -86.04 139.06 17.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.026 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 43.9 t -93.14 113.66 28.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.975 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 67.2 p -116.21 12.05 15.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.009 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -121.83 2.76 10.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.975 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.8 t70 72.18 -63.88 0.41 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.434 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 47.8 t80 63.74 78.11 0.3 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.98 0.419 . . . . 0.0 110.606 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 55.9 tp -106.84 108.11 61.44 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.029 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo -62.56 150.0 89.12 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.373 2.049 . . . . 0.0 112.157 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.8 mt -112.89 96.42 5.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.557 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.83 -159.93 18.08 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.275 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.15 99.44 11.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.813 0.34 . . . . 0.0 110.959 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -94.87 149.3 21.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.024 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -92.43 139.68 30.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.185 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 56.95 26.77 12.2 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.088 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -117.64 161.29 19.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.127 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 16.3 tt -141.59 142.91 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.0 t -75.17 141.92 43.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.905 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.9 mt -140.1 151.94 45.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.929 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -115.43 139.94 49.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.846 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -58.91 105.66 0.34 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.955 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 120.53 17.53 4.3 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.657 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -101.31 142.99 31.92 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 120.873 0.368 . . . . 0.0 111.09 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.446 ' HB3' HG21 ' A' ' 4' ' ' ILE . 30.4 m-85 -101.56 136.55 41.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.739 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.46 HG23 ' C ' ' A' ' 43' ' ' ARG . 1.5 p -158.16 122.9 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.561 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 0.6 OUTLIER -84.11 153.26 23.84 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.5 178.676 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.626 HG21 ' HB2' ' A' ' 34' ' ' ALA . 12.3 p -90.75 144.71 8.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.335 -179.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.479 HD11 ' HB2' ' A' ' 43' ' ' ARG . 70.9 mt -92.17 -79.35 0.39 Allowed 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.89 -179.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -80.64 -75.53 0.27 Allowed 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.237 -178.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.626 ' HB2' HG21 ' A' ' 31' ' ' VAL . . . 68.27 111.01 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.935 -179.146 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -159.37 -64.58 0.08 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.195 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -61.59 118.29 36.18 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -53.4 -27.33 39.12 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.625 2.216 . . . . 0.0 112.659 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.473 HD12 ' H ' ' A' ' 38' ' ' LEU . 6.3 mp -65.24 -57.15 9.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.085 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.6 ptt180 -144.11 146.71 32.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.083 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 46.1 m0 -112.55 151.54 29.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.023 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 62.2 tp -82.43 98.95 9.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.797 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 29.8 m -104.18 154.23 6.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.92 0.391 . . . . 0.0 111.066 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.479 ' HB2' HD11 ' A' ' 32' ' ' LEU . 62.2 ttt180 -142.15 111.77 6.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.822 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 58.7 p -62.74 124.83 22.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.027 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.0 pttt -67.2 130.74 93.6 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.704 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo . . . . . 0 C--N 1.349 0.556 0 C-N-CA 122.246 1.964 . . . . 0.0 112.465 -179.774 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_endo . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.791 0.246 . . . . 0.0 112.296 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.9 p -68.2 155.09 40.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.047 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 65.5 mtm180 -129.58 121.61 27.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.81 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -107.88 127.54 53.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.0 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -152.03 150.79 22.72 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.376 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 44.4 m95 -82.58 128.65 34.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.685 0.279 . . . . 0.0 110.557 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.8 m -131.39 171.63 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 111.318 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.3 m -87.76 115.35 62.71 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.5 -3.07 12.31 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.312 2.008 . . . . 0.0 112.341 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.31 -13.07 62.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.18 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -118.97 15.01 13.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.975 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.3 mp -104.08 157.79 16.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -128.84 123.04 31.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.798 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 50.3 ttp180 -63.98 118.11 7.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.975 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -141.56 125.5 17.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.545 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 59.0 mt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 -179.664 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.642 0.258 . . . . 0.0 110.796 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -122.45 111.86 17.35 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.91 0.386 . . . . 0.0 111.836 -179.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.606 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 35.0 mt -85.51 113.4 23.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.707 178.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -94.41 142.86 26.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.645 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.4 p -99.72 140.86 18.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 45.4 t -88.94 109.36 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.984 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 58.9 p -116.44 8.19 14.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.296 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -122.54 16.46 10.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.375 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.4 t70 66.8 -73.92 0.07 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.219 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.9 t80 63.72 87.33 0.11 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.059 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.445 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 45.5 tp -117.27 125.48 28.15 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.493 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 12' ' ' LEU . 23.8 Cg_exo -64.11 143.64 84.85 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.27 1.98 . . . . 0.0 112.513 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.6 mt -116.22 96.49 5.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.688 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.67 -137.21 14.08 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.481 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -119.18 98.05 5.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.833 0.349 . . . . 0.0 111.053 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -98.27 140.85 31.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.047 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -99.76 147.23 25.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.046 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 58.24 18.4 5.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.198 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -109.17 152.46 25.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.119 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.5 tt -124.2 133.67 68.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.067 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.9 t -63.38 148.84 47.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.183 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.687 HD11 HG11 ' A' ' 57' ' ' VAL . 86.6 mt -141.68 159.97 41.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.979 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -134.8 140.33 45.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.636 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -54.27 104.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.54 17.78 3.13 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.598 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.463 ' NE2' ' H ' ' A' ' 28' ' ' TYR . 1.0 OUTLIER -101.59 155.2 18.23 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 120.81 0.338 . . . . 0.0 111.171 -179.859 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.463 ' H ' ' NE2' ' A' ' 27' ' ' GLN . 9.3 m-85 -122.38 140.71 52.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.204 179.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.445 HG23 ' C ' ' A' ' 43' ' ' ARG . 2.4 p -157.98 123.09 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.739 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.606 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 13.2 pt-20 -74.42 153.5 39.19 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.76 178.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.603 ' HA ' HG12 ' A' ' 42' ' ' VAL . 12.4 p -95.72 142.92 12.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.402 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.7 mt -100.26 -76.65 0.55 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.732 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -119.15 163.99 16.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.881 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.48 -84.22 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.064 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 58.14 103.24 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.522 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 31.5 m170 64.36 114.66 0.02 OUTLIER Pre-proline 0 CA--C 1.531 0.216 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.326 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.41 ' HA ' ' HE1' ' A' ' 40' ' ' TRP . 71.0 Cg_exo -55.46 -23.79 40.69 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.724 2.283 . . . . 0.0 112.646 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.7 mp -56.88 -56.88 15.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.997 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -137.95 139.88 39.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.41 ' HE1' ' HA ' ' A' ' 37' ' ' PRO . 44.7 m0 -110.38 152.9 25.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.012 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 59.5 tp -79.41 130.45 35.43 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.899 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.603 HG12 ' HA ' ' A' ' 31' ' ' VAL . 30.5 m -142.76 144.81 23.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.4 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.445 ' C ' HG23 ' A' ' 29' ' ' VAL . 15.5 ptm180 -122.05 123.95 42.8 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.557 179.306 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.3 p -66.45 131.52 46.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.346 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -65.43 114.44 15.62 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.577 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.434 ' HG3' ' HB3' ' A' ' 52' ' ' SER . 74.3 Cg_endo . . . . . 0 C--N 1.349 0.554 0 C-N-CA 122.337 2.025 . . . . 0.0 112.655 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo . . . . . 0 C--O 1.232 0.199 0 CA-C-O 120.766 0.236 . . . . 0.0 112.177 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.434 ' HB3' ' HG3' ' A' ' 46' ' ' PRO . 83.3 p -83.26 122.87 28.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.143 -179.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.406 ' HA ' ' NE ' ' A' ' 53' ' ' ARG . 3.7 mmp_? -125.76 132.35 52.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.648 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -119.62 132.55 55.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -148.19 159.18 27.95 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.51 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 54.3 m95 -82.45 128.65 34.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.833 0.349 . . . . 0.0 110.76 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.687 HG11 HD11 ' A' ' 23' ' ' LEU . 24.6 m -128.87 170.44 18.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.254 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.3 m -84.56 110.5 27.66 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.713 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -70.54 -6.76 19.73 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.35 2.033 . . . . 0.0 112.499 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.7 -18.06 62.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.193 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -111.78 10.42 20.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.2 mp -103.4 145.51 29.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.047 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -117.63 118.72 32.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.78 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 -63.48 115.17 4.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -136.0 129.11 31.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.954 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.554 HD13 ' H ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.804 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.517 ' HB3' ' HB2' ' A' ' 30' ' ' GLU . 15.9 m-85 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.715 0.293 . . . . 0.0 110.565 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -113.75 114.29 26.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.186 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.623 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 25.1 mt -84.66 120.1 34.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.062 0.458 . . . . 0.0 111.545 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -97.27 156.06 16.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.35 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.3 p -110.33 132.45 58.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.9 0.381 . . . . 0.0 111.154 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.2 t -90.28 118.09 34.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.896 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.6 p -125.83 24.0 7.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.231 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -129.55 17.36 5.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.104 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 64.94 -78.47 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.264 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.3 t80 62.32 86.21 0.11 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.741 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 97.1 mt -117.68 118.45 35.03 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.078 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.86 136.6 71.1 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.487 2.125 . . . . 0.0 112.318 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.567 ' H ' HD23 ' A' ' 14' ' ' LEU . 0.8 OUTLIER -111.78 97.97 7.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.046 179.837 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 109.96 -119.0 5.27 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.61 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -126.36 109.06 11.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.792 0.33 . . . . 0.0 111.187 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.498 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -96.63 144.15 26.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.989 179.881 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -112.37 138.27 49.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.205 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 56.2 18.52 3.32 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.36 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.498 ' HB3' ' HB2' ' A' ' 17' ' ' GLU . . . -113.37 168.39 9.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.191 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.6 tt -135.43 130.98 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.017 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.2 t -61.37 148.41 41.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.6 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.538 HD11 HG11 ' A' ' 57' ' ' VAL . 96.2 mt -144.2 159.47 42.61 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.683 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 24' ' ' ARG . 41.8 mtm180 -132.04 153.81 50.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.981 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -63.83 93.19 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.647 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 127.59 21.63 1.58 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.53 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -101.42 147.04 26.81 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 120.83 0.348 . . . . 0.0 110.999 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -113.81 139.77 48.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.51 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.439 HG23 ' C ' ' A' ' 43' ' ' ARG . 2.9 p -158.73 123.88 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-O 120.999 0.428 . . . . 0.0 112.121 -179.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.623 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 11.3 pt-20 -76.54 153.59 35.3 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.239 179.279 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.607 ' HA ' HG12 ' A' ' 42' ' ' VAL . 14.2 p -91.03 144.85 8.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.63 -179.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.462 HD11 ' HD3' ' A' ' 43' ' ' ARG . 95.3 mt -105.05 -81.98 0.53 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.725 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -70.84 -79.43 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.003 -178.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.592 ' HB2' HG21 ' A' ' 31' ' ' VAL . . . 62.51 18.79 10.72 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.116 -179.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -79.43 -16.16 56.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.0 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 43.7 m80 -95.38 119.12 65.92 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.601 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -53.13 -25.19 28.39 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.643 2.229 . . . . 0.0 113.119 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.0 mt -80.22 -88.87 0.07 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.485 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.54 ' HG2' ' HB3' ' A' ' 56' ' ' TRP . 2.7 ttp180 -100.0 147.97 25.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.93 0.395 . . . . 0.0 111.166 -179.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 54.8 m0 -113.17 139.74 48.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.072 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.4 tp -83.35 136.91 34.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.15 179.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.607 HG12 ' HA ' ' A' ' 31' ' ' VAL . 27.0 m -142.52 159.37 19.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.91 0.386 . . . . 0.0 111.782 -179.565 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.462 ' HD3' HD11 ' A' ' 32' ' ' LEU . 34.3 ptt180 -137.09 123.72 21.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.107 179.059 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.1 p -72.35 149.35 44.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.887 0.375 . . . . 0.0 111.392 -179.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -76.64 124.72 87.82 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.96 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo . . . . . 0 C--N 1.349 0.575 0 C-N-CA 122.427 2.085 . . . . 0.0 112.617 -179.799 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo . . . . . 0 C--O 1.231 0.17 0 CA-C-O 120.754 0.231 . . . . 0.0 112.262 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 77.4 p -69.46 121.33 16.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.963 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -92.12 154.29 18.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.146 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.46 129.11 16.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.755 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -151.2 159.95 28.44 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.587 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.54 ' HB3' ' HG2' ' A' ' 39' ' ' ARG . 90.3 m95 -74.84 135.25 41.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.69 0.281 . . . . 0.0 110.71 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.538 HG11 HD11 ' A' ' 23' ' ' LEU . 34.6 m -135.4 162.39 37.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.378 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 58.5 p -83.44 113.47 46.91 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.69 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.13 -7.99 22.37 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.274 1.982 . . . . 0.0 112.521 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.99 -40.36 87.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.259 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -93.14 13.66 20.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.956 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.8 mp -106.86 143.36 35.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.164 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -124.72 119.43 28.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.534 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.439 ' N ' ' HD3' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -55.14 136.92 47.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.002 -179.809 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 -142.91 127.55 18.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.459 ' N ' HD12 ' A' ' 66' ' ' LEU . 4.9 mp . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.757 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.58 0.229 . . . . 0.0 110.805 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -122.12 106.61 11.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.857 0.36 . . . . 0.0 111.58 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.646 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 25.3 mt -84.36 115.11 25.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.371 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -94.52 140.35 29.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.372 179.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -101.58 135.91 35.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.128 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.413 HG21 ' HB3' ' A' ' 23' ' ' LEU . 47.5 t -86.75 111.17 21.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.875 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.424 ' HA ' ' HG3' ' A' ' 25' ' ' GLU . 69.2 p -119.47 17.05 12.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.346 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -127.29 -4.91 6.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.36 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.415 ' HB2' ' HB2' ' A' ' 25' ' ' GLU . 18.4 t70 60.82 97.73 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.013 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -98.23 90.26 4.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.837 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 tt -115.69 104.72 52.66 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.606 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -59.37 150.3 75.8 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.556 2.171 . . . . 0.0 112.437 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.423 ' N ' HD12 ' A' ' 14' ' ' LEU . 5.2 mp -119.82 97.39 5.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 120.08 -115.49 2.99 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.625 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -113.92 125.46 54.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.797 0.332 . . . . 0.0 111.023 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -82.32 136.15 35.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.052 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -111.77 98.9 7.72 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.598 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 56.62 22.3 6.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.047 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -111.31 172.08 7.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.219 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.5 tt -132.94 142.51 42.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 52.3 m -73.36 128.41 35.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.214 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.413 ' HB3' HG21 ' A' ' 7' ' ' VAL . 95.4 mt -129.77 121.9 27.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.761 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.422 ' HD3' ' N ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -91.73 144.24 25.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.809 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.424 ' HG3' ' HA ' ' A' ' 8' ' ' THR . 33.0 tt0 -58.39 105.88 0.33 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.827 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 126.49 11.56 3.68 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.259 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -101.32 151.94 21.29 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 120.873 0.368 . . . . 0.0 110.992 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.415 ' HB2' ' HZ1' ' A' ' 45' ' ' LYS . 39.5 m-85 -116.56 140.25 49.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.422 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 43' ' ' ARG . 2.2 p -159.36 122.65 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.894 0.378 . . . . 0.0 111.961 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.646 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 10.1 pt-20 -76.52 153.0 35.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.859 178.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.706 ' HA ' HG12 ' A' ' 42' ' ' VAL . 11.6 p -89.06 142.72 12.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.244 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.534 HD21 ' HD2' ' A' ' 43' ' ' ARG . 75.6 mt -98.57 -60.27 1.58 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.227 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -71.65 -75.17 0.13 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.396 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.34 91.05 0.06 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.014 -179.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -160.67 -64.05 0.06 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.213 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 57.5 m80 -92.67 113.4 59.46 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.006 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -48.86 -24.19 6.81 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 122.668 2.245 . . . . 0.0 112.767 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -52.63 -65.93 0.47 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.203 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -148.43 133.99 18.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.117 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 26.4 m0 -116.84 147.28 42.27 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.449 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 49.2 tp -86.41 120.29 27.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.194 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.706 HG12 ' HA ' ' A' ' 31' ' ' VAL . 14.6 m -135.71 150.84 28.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.658 -179.148 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.534 ' HD2' HD21 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -133.44 130.09 38.17 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.185 179.071 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.432 HG22 ' HB ' ' A' ' 29' ' ' VAL . 28.6 p -74.72 160.85 30.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.293 -179.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.415 ' HZ1' ' HB2' ' A' ' 28' ' ' TYR . 32.7 mtmm -73.01 133.42 81.8 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.063 -179.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo . . . . . 0 C--N 1.348 0.523 0 C-N-CA 122.588 2.192 . . . . 0.0 112.684 -179.866 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo . . . . . 0 C--O 1.231 0.143 0 CA-C-O 120.787 0.245 . . . . 0.0 112.286 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.9 m -76.0 123.92 26.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.063 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 88.2 mtt180 -111.63 136.56 50.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -119.82 129.93 54.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -147.38 143.08 10.84 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.553 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 40.1 m95 -76.85 119.5 20.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.771 0.319 . . . . 0.0 110.877 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 31.6 m -128.13 169.41 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 53.9 m -84.5 112.46 42.16 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.809 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.457 ' HA ' HD22 ' A' ' 62' ' ' LEU . 61.7 Cg_endo -72.62 -1.15 9.89 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.284 1.989 . . . . 0.0 112.466 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.77 -29.72 70.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.102 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -98.24 13.64 30.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.633 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.457 HD22 ' HA ' ' A' ' 59' ' ' PRO . 5.7 mp -105.86 165.68 11.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.114 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -121.96 140.38 52.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.841 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 51.9 ttp180 -80.39 118.51 22.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.289 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 69.6 mtp180 -136.33 149.53 48.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.571 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 91.7 mt . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.24 -179.744 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.747 0.308 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -122.2 110.2 15.43 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.85 0.357 . . . . 0.0 111.606 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.643 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 41.8 mt -84.41 135.52 24.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.281 179.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -120.35 131.94 55.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.538 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.1 p -93.22 141.48 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.171 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.5 t -94.24 123.52 46.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.785 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.409 ' HA ' ' HG3' ' A' ' 25' ' ' GLU . 70.8 p -130.1 14.76 5.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.403 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -122.2 3.09 9.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.289 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.8 t70 52.9 68.98 0.75 Allowed 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.785 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -86.21 95.84 9.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.929 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.495 HD12 ' HD2' ' A' ' 13' ' ' PRO . 47.6 tp -109.29 123.23 37.31 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.788 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.495 ' HD2' HD12 ' A' ' 12' ' ' LEU . 45.0 Cg_exo -58.14 147.24 84.54 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.408 2.072 . . . . 0.0 112.292 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.446 ' N ' HD12 ' A' ' 14' ' ' LEU . 4.6 mp -95.98 96.04 8.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.471 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.38 -175.03 42.3 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.34 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.94 105.65 17.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.819 0.342 . . . . 0.0 111.081 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -110.06 149.0 30.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.782 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -79.71 145.01 33.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.039 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 58.77 23.21 10.93 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.0 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -107.91 162.52 13.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.344 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.9 tt -141.07 140.77 32.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.795 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.0 p -84.58 128.72 34.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.365 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.531 HD11 HG11 ' A' ' 57' ' ' VAL . 32.7 mt -109.91 163.99 13.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.993 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -134.08 133.28 40.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.721 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.409 ' HG3' ' HA ' ' A' ' 8' ' ' THR . 36.7 tt0 -61.72 101.12 0.17 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.744 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.82 11.17 4.51 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.344 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -101.37 162.01 13.21 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 120.889 0.376 . . . . 0.0 111.206 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.445 ' HB3' HG21 ' A' ' 4' ' ' ILE . 66.0 m-85 -123.6 141.42 52.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.619 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.408 HG22 ' HB ' ' A' ' 42' ' ' VAL . 2.6 p -159.27 123.79 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.041 0.448 . . . . 0.0 112.178 -179.641 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.643 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 9.9 pt-20 -76.56 153.44 35.38 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.722 178.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.598 HG21 ' HB2' ' A' ' 34' ' ' ALA . 13.7 p -90.13 144.33 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.107 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.3 mt -105.2 -72.92 0.69 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.961 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.585 ' HB3' ' HB3' ' A' ' 41' ' ' LEU . 18.2 t70 -83.47 -79.57 0.2 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.917 -178.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.598 ' HB2' HG21 ' A' ' 31' ' ' VAL . . . 62.3 102.35 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.708 -179.112 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -125.25 -62.6 1.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.351 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.439 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 45.7 m-70 -96.09 139.95 22.02 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 -179.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 36' ' ' HIS . 50.7 Cg_exo -58.17 -21.06 49.56 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.842 2.361 . . . . 0.0 112.529 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -58.16 -55.84 29.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.774 -179.898 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.2 ptt180 -144.6 139.95 28.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.965 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 36.8 m0 -113.91 139.62 49.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.725 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.585 ' HB3' ' HB3' ' A' ' 33' ' ' ASP . 57.2 tp -84.74 126.83 33.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.468 179.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.563 HG12 ' HA ' ' A' ' 31' ' ' VAL . 22.6 m -136.28 164.52 31.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.993 0.425 . . . . 0.0 111.573 -179.662 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -141.98 112.03 6.88 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.267 179.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.3 p -57.89 150.07 21.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.007 0.432 . . . . 0.0 111.65 -179.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? -74.58 136.37 74.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.9 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo . . . . . 0 C--N 1.348 0.505 0 C-N-CA 122.537 2.158 . . . . 0.0 112.446 179.897 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo . . . . . 0 C--O 1.231 0.159 0 CA-C-O 120.788 0.245 . . . . 0.0 112.169 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.9 t -74.58 129.56 37.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.988 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 -110.57 137.4 48.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.054 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.536 ' HG2' HD11 ' A' ' 41' ' ' LEU . 17.0 tt0 -118.99 126.33 51.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.507 179.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -152.56 163.45 30.34 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.889 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 71.7 m95 -86.08 136.79 33.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.636 0.255 . . . . 0.0 110.409 179.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.531 HG11 HD11 ' A' ' 23' ' ' LEU . 29.4 m -137.67 172.32 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.868 0.366 . . . . 0.0 111.578 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.5 p -92.93 122.53 63.55 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.757 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.78 -10.39 19.95 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.402 2.068 . . . . 0.0 112.71 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.07 -27.04 68.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.333 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -106.32 17.11 23.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.1 mp -111.12 138.65 47.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.11 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -106.71 127.29 53.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.735 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 30.8 ttm180 -62.77 120.5 11.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -139.09 115.31 10.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.662 ' H ' HD23 ' A' ' 66' ' ' LEU . 1.6 pt? . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.505 ' HB3' ' HB2' ' A' ' 30' ' ' GLU . 32.7 m-85 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.65 0.262 . . . . 0.0 110.688 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -122.28 111.03 16.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.28 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.614 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 35.8 mt -84.64 112.71 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.098 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -94.99 145.2 25.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.007 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.2 p -110.71 135.34 50.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.119 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.0 t -78.73 116.72 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.93 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.412 ' HA ' ' HG3' ' A' ' 25' ' ' GLU . 76.7 p -120.79 14.24 11.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.206 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -132.82 3.73 3.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.115 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.7 t70 56.33 90.44 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -89.34 93.24 9.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.948 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tt -104.87 107.15 57.81 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.507 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -58.32 124.22 15.37 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.359 2.039 . . . . 0.0 112.413 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 80.3 mt -77.33 95.23 4.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.907 0.384 . . . . 0.0 110.213 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 100.1 -166.22 19.97 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.837 -0.696 . . . . 0.0 112.442 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.41 104.03 13.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.723 0.297 . . . . 0.0 110.982 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -105.11 144.79 31.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.001 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -72.43 146.02 47.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.952 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 60.42 14.15 4.56 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.203 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -103.43 153.2 20.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.168 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.4 tt -130.29 142.88 42.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.948 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 82.1 p -86.57 135.46 33.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.192 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.6 mt -128.65 158.73 37.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.408 ' HD3' ' N ' ' A' ' 24' ' ' ARG . 0.2 OUTLIER -126.16 144.91 50.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.734 179.815 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.412 ' HG3' ' HA ' ' A' ' 8' ' ' THR . 36.3 tt0 -61.65 106.21 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 126.6 12.88 3.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.47 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -101.3 167.54 10.12 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 120.779 0.323 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -129.96 137.34 50.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.838 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.7 p -159.79 123.52 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.79 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.614 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 10.9 pt-20 -76.29 153.61 35.78 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.226 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.644 ' HA ' HG12 ' A' ' 42' ' ' VAL . 10.2 p -90.5 143.91 10.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.4 HD11 ' HD3' ' A' ' 43' ' ' ARG . 71.7 mt -102.12 -78.75 0.53 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.997 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -100.58 132.18 46.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.96 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -131.56 123.85 28.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.072 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -153.4 -60.09 0.14 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.089 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -91.73 119.9 68.27 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -53.81 -24.01 29.2 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.704 2.27 . . . . 0.0 112.57 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.2 -62.78 1.52 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.285 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -142.8 143.48 32.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.877 0.37 . . . . 0.0 111.389 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 40.0 m0 -121.27 151.62 39.82 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.893 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 67.4 tp -82.87 118.08 23.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.47 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.644 HG12 ' HA ' ' A' ' 31' ' ' VAL . 22.6 m -133.28 148.96 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 0.0 111.483 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.4 ' HD3' HD11 ' A' ' 32' ' ' LEU . 34.7 ptt180 -131.14 123.61 28.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.995 0.426 . . . . 0.0 110.271 179.395 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.4 p -70.55 148.55 48.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.338 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.481 ' HB3' ' NZ ' ' A' ' 45' ' ' LYS . 7.3 mtpm? -67.37 114.52 19.45 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.429 ' HG3' ' HB3' ' A' ' 52' ' ' SER . 49.1 Cg_endo . . . . . 0 C--N 1.348 0.513 0 C-N-CA 122.382 2.054 . . . . 0.0 112.16 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo . . . . . 0 C--O 1.231 0.142 0 CA-C-O 120.78 0.242 . . . . 0.0 112.093 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.429 ' HB3' ' HG3' ' A' ' 46' ' ' PRO . 86.3 p -75.69 118.62 18.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -118.37 156.66 28.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.633 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -144.87 134.66 23.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.997 0.427 . . . . 0.0 111.324 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -149.52 152.2 24.2 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.058 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 55.6 m95 -73.92 131.85 41.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.841 0.353 . . . . 0.0 110.98 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.0 m -127.56 167.57 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.096 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 63.1 m -98.69 114.09 65.03 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.813 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -68.98 -7.11 19.91 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.327 2.018 . . . . 0.0 112.494 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.86 -4.72 42.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.221 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -124.9 1.55 8.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.738 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.6 mp -110.14 147.3 33.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.206 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -105.08 146.33 29.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.77 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 49.3 ttp180 -79.52 120.95 24.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.16 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 60.7 ttt180 -140.9 111.92 7.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.026 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.543 HD13 ' H ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.726 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.477 ' HB3' ' HB2' ' A' ' 30' ' ' GLU . 39.4 m-85 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.697 0.284 . . . . 0.0 110.679 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -121.83 113.02 19.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.395 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.61 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 52.1 mt -84.37 110.96 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.787 179.621 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -94.62 144.6 25.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.702 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -104.3 139.17 26.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.258 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 62.3 t -93.41 110.47 23.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.067 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.1 p -117.61 21.37 13.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.059 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -121.8 8.36 9.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.134 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.4 t70 53.65 67.84 0.94 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.723 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -79.64 95.45 5.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.769 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 65.2 tp -113.38 113.78 48.27 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -58.57 150.25 70.42 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.484 2.123 . . . . 0.0 112.516 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.01 95.05 10.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.18 0.514 . . . . 0.0 110.652 179.261 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.87 -122.07 18.43 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.541 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -103.49 108.84 20.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.708 0.289 . . . . 0.0 110.997 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -116.61 121.89 43.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.812 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -66.32 147.56 53.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.023 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 58.12 23.34 10.03 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.13 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -121.18 155.03 35.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.169 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.8 tt -127.63 138.22 55.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.6 t -58.4 135.6 57.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.98 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.9 mt -144.77 156.32 43.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.212 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.4 mtm180 -140.31 154.76 46.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.856 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -63.48 97.33 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.651 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 129.24 19.74 1.51 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.388 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -101.52 147.4 26.43 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 120.751 0.31 . . . . 0.0 110.826 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -117.98 137.63 52.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.686 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.468 HG22 ' HB ' ' A' ' 42' ' ' VAL . 3.1 p -159.2 124.4 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 112.038 -179.296 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.61 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 11.4 pt-20 -74.31 153.52 39.31 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.861 178.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.512 ' HA ' HG12 ' A' ' 42' ' ' VAL . 13.4 p -96.17 135.17 31.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.291 -179.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 80.6 mt -91.38 -67.36 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.842 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -105.68 145.36 31.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.023 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -110.8 16.87 21.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.034 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.06 130.59 47.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.303 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 61.23 104.6 0.03 OUTLIER Pre-proline 0 CA--C 1.532 0.274 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.953 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -54.22 -23.27 29.08 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.737 2.291 . . . . 0.0 112.926 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 56.4 tp -55.24 -55.54 30.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.046 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -139.48 125.97 20.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.973 0.416 . . . . 0.0 111.04 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 44.3 m0 -102.85 144.21 31.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.171 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 64.4 tp -80.27 133.35 35.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.105 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.512 HG12 ' HA ' ' A' ' 31' ' ' VAL . 32.9 m -134.29 161.2 41.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.039 0.447 . . . . 0.0 111.891 -179.323 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.417 ' C ' HG23 ' A' ' 29' ' ' VAL . 35.9 ttp180 -140.44 111.68 7.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.388 179.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.43 ' HA ' HG23 ' A' ' 29' ' ' VAL . 46.8 p -58.21 140.91 52.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.498 -179.309 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -76.42 125.23 87.82 Favored Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.915 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo . . . . . 0 C--N 1.349 0.586 0 C-N-CA 122.361 2.041 . . . . 0.0 112.378 179.912 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--O 1.23 0.114 0 CA-C-O 120.794 0.247 . . . . 0.0 112.242 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 83.3 p -71.14 150.01 45.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -132.43 147.23 52.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.148 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -123.65 129.37 51.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.787 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -151.14 155.14 25.98 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.477 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 55.9 m95 -88.62 121.66 31.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.675 0.274 . . . . 0.0 110.722 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.3 t -123.95 157.75 30.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.166 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.461 ' O ' HD13 ' A' ' 62' ' ' LEU . 51.8 m -79.47 119.97 78.74 Favored Pre-proline 0 CA--C 1.53 0.209 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.773 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -70.16 -15.6 35.64 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.504 2.136 . . . . 0.0 112.203 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.81 -41.67 82.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.985 -179.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -96.47 16.33 18.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.583 -179.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.461 HD13 ' O ' ' A' ' 58' ' ' SER . 6.5 mp -104.65 153.59 21.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.061 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -126.9 121.05 30.68 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.846 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.594 ' HD3' ' H ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -57.36 142.62 42.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -139.19 114.86 9.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.061 -179.886 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.925 0.393 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.461 ' O ' ' HA ' ' A' ' 30' ' ' GLU . 10.2 m-20 -91.54 111.65 23.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.008 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.575 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 42.5 mt -84.19 116.58 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.332 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -94.53 144.09 25.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.507 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -104.89 125.93 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.987 0.422 . . . . 0.0 111.027 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.538 ' HB ' ' H ' ' A' ' 26' ' ' GLY . 61.8 t -78.02 124.67 36.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.65 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 60.9 p -117.96 21.11 13.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.297 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.46 ' O ' ' HB2' ' A' ' 10' ' ' ASP . . . -127.93 -71.83 0.64 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.342 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.46 ' HB2' ' O ' ' A' ' 9' ' ' ALA . 18.2 t70 165.74 -64.5 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.217 -179.305 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 38.7 t80 59.92 79.21 0.24 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.322 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.428 HD12 HG23 ' A' ' 22' ' ' THR . 45.0 tp -118.02 123.81 29.23 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.591 179.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.412 ' HD2' HD12 ' A' ' 12' ' ' LEU . 31.7 Cg_exo -59.38 127.26 23.25 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 122.155 1.903 . . . . 0.0 112.23 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.3 mt -96.77 96.6 8.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.608 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.26 -154.14 16.67 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.253 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -103.03 97.92 7.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.794 0.33 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -125.28 108.17 11.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.414 ' O ' ' HB3' ' A' ' 19' ' ' ASP . 15.9 mm100 -94.98 97.13 9.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.653 179.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.414 ' HB3' ' O ' ' A' ' 18' ' ' GLN . 4.8 p-10 170.18 -35.22 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.031 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -96.7 162.18 13.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.004 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 10.4 tt -110.82 125.1 68.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.428 HG23 HD12 ' A' ' 12' ' ' LEU . 37.7 m -61.44 112.26 2.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.179 -179.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 78.4 mt -110.01 166.14 11.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.962 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -128.04 147.95 50.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.595 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -55.29 96.96 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.538 ' H ' ' HB ' ' A' ' 7' ' ' VAL . . . 116.07 31.59 1.86 Allowed Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.873 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -101.71 144.38 30.49 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 120.736 0.303 . . . . 0.0 111.174 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -103.54 131.04 51.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.615 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.5 HG22 ' HB ' ' A' ' 42' ' ' VAL . 2.6 p -159.51 124.1 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.515 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.575 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 1.4 pm0 -79.95 153.29 29.04 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.283 179.447 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.67 ' HA ' HG12 ' A' ' 42' ' ' VAL . 14.9 p -86.73 144.39 9.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.259 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 82.0 mt -104.86 -68.23 0.87 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.179 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -57.9 -74.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.413 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 58.75 78.92 0.23 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -169.7 -36.75 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.169 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -86.4 112.19 44.46 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.933 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_exo -55.36 -25.07 46.01 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.475 2.117 . . . . 0.0 112.571 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 66.3 mt -67.76 -72.17 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.428 ' HD3' ' HB3' ' A' ' 56' ' ' TRP . 17.7 ptp180 -141.81 148.98 39.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.812 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 20.2 m0 -115.67 146.47 41.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.419 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 23.9 tp -84.29 117.23 23.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.23 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.67 HG12 ' HA ' ' A' ' 31' ' ' VAL . 16.0 m -124.52 151.94 30.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.582 -179.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.435 ' C ' HG23 ' A' ' 29' ' ' VAL . 22.3 ptt180 -132.75 127.83 35.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.462 179.353 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.416 HG22 ' HB ' ' A' ' 29' ' ' VAL . 44.7 p -72.8 154.41 40.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.852 0.358 . . . . 0.0 111.196 -179.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -71.84 140.04 83.42 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.965 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo . . . . . 0 C--N 1.349 0.592 0 C-N-CA 122.445 2.096 . . . . 0.0 112.392 179.787 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.774 0.239 . . . . 0.0 112.114 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.7 p -68.67 113.74 6.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.191 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 58.9 mtm180 -91.87 160.7 15.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.684 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -149.65 131.58 15.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.968 0.413 . . . . 0.0 111.12 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -150.62 160.98 28.84 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.503 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.428 ' HB3' ' HD3' ' A' ' 39' ' ' ARG . 75.4 m95 -77.77 134.7 37.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.781 0.324 . . . . 0.0 110.956 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.2 m -132.65 166.2 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.237 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 52.5 m -98.93 113.48 64.6 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.697 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.483 ' HA ' ' HB2' ' A' ' 62' ' ' LEU . 32.9 Cg_endo -64.08 -6.95 12.32 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.351 2.034 . . . . 0.0 112.562 -179.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.61 -15.08 63.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.075 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -124.38 14.41 8.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.483 ' HB2' ' HA ' ' A' ' 59' ' ' PRO . 10.6 mp -113.74 142.99 45.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.092 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -124.09 119.08 28.44 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.804 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 36.1 ptt180 -62.51 139.83 58.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.046 0.451 . . . . 0.0 111.164 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 -144.05 132.95 22.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.852 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.436 ' N ' HD12 ' A' ' 66' ' ' LEU . 6.0 mp . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.554 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.533 ' HB2' ' HB2' ' A' ' 30' ' ' GLU . 57.8 m-85 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.802 0.334 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -85.11 102.05 12.94 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.625 -179.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.672 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 17.8 mt -84.64 135.2 25.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.224 179.547 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.413 ' HB2' HD23 ' A' ' 62' ' ' LEU . 64.1 m-85 -110.28 159.7 17.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.575 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.7 p -113.84 131.15 66.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.022 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.646 HG21 ' HG3' ' A' ' 27' ' ' GLN . 2.8 t -77.61 130.7 35.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.5 p -139.55 18.09 2.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.636 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -136.58 -0.9 2.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.692 0.282 . . . . 0.0 111.425 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.1 t70 58.17 92.28 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -93.83 85.93 4.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.016 0.436 . . . . 0.0 110.346 179.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.7 tp -111.46 110.8 55.38 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.774 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -58.58 146.62 90.56 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.177 1.918 . . . . 0.0 112.108 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.625 ' H ' HD23 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -95.92 95.66 8.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.115 0.483 . . . . 0.0 110.519 179.628 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.42 -120.23 5.09 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.541 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -110.41 105.38 14.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.761 0.315 . . . . 0.0 111.22 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.408 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 8.9 tp10 -99.37 141.27 32.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.659 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -78.17 123.17 26.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.015 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 54.16 62.57 2.52 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.991 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.408 ' HB3' ' HB3' ' A' ' 17' ' ' GLU . . . -142.27 167.6 21.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.214 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 12.3 tt -136.32 133.2 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.878 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 65.5 m -67.98 130.09 41.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.459 HD22 ' NE2' ' A' ' 27' ' ' GLN . 23.7 mt -134.77 169.24 17.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.268 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.9 mtp180 -134.6 145.76 48.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.952 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -66.69 106.04 1.72 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.557 ' H ' ' HB ' ' A' ' 7' ' ' VAL . . . 129.38 8.75 3.5 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.901 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.646 ' HG3' HG21 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -103.74 166.75 10.23 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.958 0.408 . . . . 0.0 111.065 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.431 ' HB3' ' CG2' ' A' ' 4' ' ' ILE . 24.4 m-85 -120.76 143.2 48.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.662 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.427 HG22 ' HB ' ' A' ' 42' ' ' VAL . 2.7 p -155.87 123.26 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-O 121.005 0.431 . . . . 0.0 111.844 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.672 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 11.9 pt-20 -77.29 153.76 33.59 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.37 179.292 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.646 ' HA ' HG12 ' A' ' 42' ' ' VAL . 13.9 p -94.38 144.35 9.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.045 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.421 HD21 ' HG2' ' A' ' 43' ' ' ARG . 66.9 mt -102.2 -81.4 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.317 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.473 ' OD2' ' HB3' ' A' ' 35' ' ' ALA . 29.2 t0 -62.02 -53.39 56.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.321 -179.454 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 60.73 23.25 13.15 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.612 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.473 ' HB3' ' OD2' ' A' ' 33' ' ' ASP . . . -99.57 156.09 17.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.149 179.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 64.9 108.96 0.03 OUTLIER Pre-proline 0 CA--C 1.531 0.243 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.991 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -52.59 -24.73 23.47 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 122.851 2.367 . . . . 0.0 112.858 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 50.4 tp -54.24 -71.14 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.977 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -140.24 143.58 36.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.791 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 35.2 m0 -110.44 142.95 41.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.488 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 42.4 tp -80.22 123.79 28.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.773 178.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.646 HG12 ' HA ' ' A' ' 31' ' ' VAL . 16.8 m -134.67 155.18 38.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.548 ' HB3' ' HB3' ' A' ' 54' ' ' GLN . 6.6 ptp180 -130.18 121.86 27.05 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.197 178.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.2 p -65.44 146.58 54.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.948 0.404 . . . . 0.0 111.323 -179.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -71.88 126.07 91.46 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.125 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo . . . . . 0 C--N 1.349 0.576 0 C-N-CA 122.258 1.972 . . . . 0.0 112.11 179.606 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo . . . . . 0 C--O 1.231 0.163 0 CA-C-O 120.784 0.243 . . . . 0.0 112.184 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.3 p -71.31 134.84 47.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.055 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 31.4 mmm180 -109.81 158.63 17.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.803 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.548 ' HB3' ' HB3' ' A' ' 43' ' ' ARG . 12.3 pt20 -140.83 131.16 25.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.048 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -149.44 158.88 27.84 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.543 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 36.7 m95 -79.97 120.16 23.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.802 0.335 . . . . 0.0 110.67 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.7 m -119.17 171.84 6.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.299 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.7 m -93.18 108.18 30.95 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.787 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.2 -1.89 9.58 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.376 2.051 . . . . 0.0 112.344 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.47 -13.75 62.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.202 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -117.59 -0.68 11.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.058 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.413 HD23 ' HB2' ' A' ' 5' ' ' TYR . 6.0 mp -102.3 141.37 35.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.226 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -104.87 133.09 50.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.793 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -74.55 115.03 13.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.037 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 27.8 mmm180 -138.29 115.89 11.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.785 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 68.4 tp . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.041 179.93 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.521 ' HB3' ' HB2' ' A' ' 30' ' ' GLU . 3.5 m-85 . . . . . 0 CA--C 1.528 0.109 0 CA-C-O 120.718 0.294 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -104.39 106.59 17.14 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.23 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.653 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 63.6 mt -83.96 116.63 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.089 0.471 . . . . 0.0 111.55 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -97.35 126.91 42.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.619 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -91.26 136.03 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.001 0.429 . . . . 0.0 111.352 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 48.6 t -86.93 125.03 40.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.709 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.438 ' HA ' ' HG3' ' A' ' 25' ' ' GLU . 71.8 p -136.71 18.55 3.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.364 -179.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -125.09 8.37 7.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.289 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.43 ' HA ' ' HB2' ' A' ' 25' ' ' GLU . 19.6 t70 56.38 90.24 0.04 OUTLIER 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.786 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.404 ' C ' HD12 ' A' ' 12' ' ' LEU . 50.6 t80 -105.58 92.7 4.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.412 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 10.4 mp -117.39 133.46 23.22 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 12' ' ' LEU . 36.8 Cg_exo -61.04 134.99 56.11 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.369 2.046 . . . . 0.0 112.266 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.526 HD12 ' O ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -97.55 96.37 8.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.08 0.467 . . . . 0.0 110.856 179.466 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.13 -107.31 2.68 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.381 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -123.22 102.23 7.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.753 0.311 . . . . 0.0 111.165 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -105.9 153.51 21.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.644 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.0 mp0 -88.78 140.18 29.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.349 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 40.27 39.58 0.69 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.85 179.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -110.25 132.28 54.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.898 0.38 . . . . 0.0 111.197 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.446 ' HB ' ' HA3' ' A' ' 55' ' ' GLY . 14.0 tt -102.47 142.75 16.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.008 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 82.1 p -68.31 112.6 5.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.8 mt -123.84 148.63 46.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.017 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -119.65 147.07 44.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.701 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.438 ' HG3' ' HA ' ' A' ' 8' ' ' THR . 41.8 tt0 -63.03 104.09 0.53 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.057 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 126.67 17.15 2.38 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.411 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -101.22 168.01 9.84 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 120.843 0.354 . . . . 0.0 111.209 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.448 ' HB3' HG21 ' A' ' 4' ' ' ILE . 44.8 m-85 -130.43 138.76 50.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.844 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.445 ' N ' HG23 ' A' ' 4' ' ' ILE . 3.3 p -159.18 123.71 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-O 120.939 0.4 . . . . 0.0 112.029 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.653 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 12.0 pt-20 -74.6 153.9 38.8 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.272 179.166 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.697 ' HA ' HG12 ' A' ' 42' ' ' VAL . 13.6 p -92.47 144.93 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.095 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.432 HD11 ' HG2' ' A' ' 43' ' ' ARG . 47.1 mt -108.55 -79.25 0.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.77 -179.298 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -64.38 -72.54 0.14 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.89 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.421 ' HB2' HG21 ' A' ' 31' ' ' VAL . . . 63.19 92.74 0.06 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.376 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -150.65 -73.13 0.16 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.305 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -61.84 116.44 21.18 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.677 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -50.05 -27.24 16.32 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.815 2.344 . . . . 0.0 112.907 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 45.1 tp -61.16 -62.13 2.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.258 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -145.68 153.79 41.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.981 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 39.8 m0 -120.68 149.43 42.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.3 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 36.0 tp -80.77 118.84 22.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.364 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.697 HG12 ' HA ' ' A' ' 31' ' ' VAL . 9.8 m -135.49 143.07 37.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.53 -179.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.447 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 4.5 ptp180 -118.45 125.34 49.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.187 179.362 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 57.5 p -67.45 135.08 52.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.866 0.365 . . . . 0.0 111.114 -179.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -62.89 140.18 97.41 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.75 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo . . . . . 0 N--CA 1.457 -0.642 0 C-N-CA 122.715 2.276 . . . . 0.0 112.448 -179.785 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo . . . . . 0 C--O 1.231 0.142 0 CA-C-O 120.818 0.258 . . . . 0.0 112.207 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.3 p -93.48 132.97 37.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.097 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -126.21 156.61 39.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.844 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -127.79 128.75 45.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.273 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.446 ' HA3' ' HB ' ' A' ' 21' ' ' ILE . . . -140.68 145.32 16.0 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 121.032 -0.604 . . . . 0.0 112.238 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 61.5 m95 -75.15 118.22 17.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.772 0.32 . . . . 0.0 110.796 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.513 HG12 ' H ' ' A' ' 58' ' ' SER . 1.9 t -112.38 168.94 4.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -179.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.513 ' H ' HG12 ' A' ' 57' ' ' VAL . 49.9 m -96.91 104.25 17.91 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.736 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 58' ' ' SER . 29.3 Cg_endo -63.86 -7.62 13.63 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.392 2.061 . . . . 0.0 112.538 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.37 -1.9 25.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.997 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -132.24 13.7 4.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.981 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.443 ' HA ' HD13 ' A' ' 62' ' ' LEU . 2.3 mm? -100.85 179.36 4.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.154 0.502 . . . . 0.0 111.661 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -145.66 144.51 30.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.236 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -70.89 125.67 27.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.974 0.416 . . . . 0.0 111.196 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -141.23 114.96 9.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.377 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.207 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 20.4 mm . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.902 0.382 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -91.22 174.64 7.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.643 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -122.32 110.23 15.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.864 0.364 . . . . 0.0 111.623 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.564 HG12 ' HB3' ' A' ' 30' ' ' GLU . 42.9 mt -85.41 114.46 25.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.108 179.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -97.77 158.82 15.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.695 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -124.63 141.29 45.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.47 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.8 t -85.87 108.72 17.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.821 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.7 p -109.67 17.56 21.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.479 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -141.89 12.27 2.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.395 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.2 t70 63.78 152.91 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.962 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -151.0 93.6 1.95 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.888 0.375 . . . . 0.0 110.972 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.548 HD21 HH11 ' A' ' 24' ' ' ARG . 95.0 mt -116.27 109.31 44.49 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.913 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -57.89 120.12 7.81 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.423 2.082 . . . . 0.0 112.45 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 83.8 mt -87.6 96.6 10.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.634 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.17 -138.72 14.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.422 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -118.12 108.94 15.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.779 0.323 . . . . 0.0 111.163 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -108.92 126.41 53.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.624 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.652 HE21 ' H ' ' A' ' 19' ' ' ASP . 22.3 tp60 -82.5 142.07 32.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.962 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.652 ' H ' HE21 ' A' ' 18' ' ' GLN . 28.9 m-20 61.34 24.22 14.36 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.09 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -112.75 158.79 19.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.271 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.452 ' HB ' ' HA3' ' A' ' 55' ' ' GLY . 17.4 tt -130.47 144.65 37.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.873 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 78.2 p -77.95 149.98 34.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.022 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.496 HD11 HG11 ' A' ' 57' ' ' VAL . 55.8 mt -145.77 152.63 39.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.237 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.548 HH11 HD21 ' A' ' 12' ' ' LEU . 29.0 mmm180 -119.24 138.96 52.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.654 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -57.22 99.83 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 126.21 20.82 1.95 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.243 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -101.02 161.35 13.66 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 120.76 0.314 . . . . 0.0 111.028 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -122.74 135.06 54.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.736 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.422 HG23 ' HA ' ' A' ' 44' ' ' THR . 3.0 p -159.54 123.49 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.975 0.417 . . . . 0.0 111.954 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.564 ' HB3' HG12 ' A' ' 4' ' ' ILE . 10.0 pt-20 -78.85 153.24 30.76 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.983 179.118 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.504 ' HA ' HG12 ' A' ' 42' ' ' VAL . 14.1 p -90.21 135.75 25.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.917 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 83.7 mt -85.7 -66.55 0.89 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.111 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -138.75 151.66 47.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.042 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -102.58 108.3 19.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.016 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -92.19 -77.91 0.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.297 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -113.39 145.17 32.72 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.972 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -56.68 -21.7 40.58 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.69 2.26 . . . . 0.0 112.259 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.456 HD12 ' N ' ' A' ' 38' ' ' LEU . 6.7 mp -68.86 -49.53 57.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.953 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.541 ' HE ' ' HB3' ' A' ' 56' ' ' TRP . 12.5 ptm180 -147.11 132.25 18.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 25.0 m0 -103.64 155.85 18.25 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.236 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 38.1 tp -79.4 126.24 30.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.636 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.504 HG12 ' HA ' ' A' ' 31' ' ' VAL . 29.5 m -138.49 154.32 27.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.314 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -141.57 116.97 10.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.77 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.422 ' HA ' HG23 ' A' ' 29' ' ' VAL . 65.1 p -58.79 154.69 14.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.196 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -91.61 132.11 34.21 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.973 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.92 149.12 32.68 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.313 2.009 . . . . 0.0 112.204 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.7 t -139.8 135.86 33.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.255 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? 65.04 -81.12 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.188 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 37.9 t -147.94 12.46 0.98 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.755 0.312 . . . . 0.0 111.184 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 54.4 m -81.14 120.51 78.76 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.976 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo -60.22 142.53 98.46 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.598 2.199 . . . . 0.0 112.352 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 77.8 p -82.1 126.08 31.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.996 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -109.65 148.1 31.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -123.58 127.14 47.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.128 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.452 ' HA3' ' HB ' ' A' ' 21' ' ' ILE . . . -151.76 151.76 23.62 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.325 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.541 ' HB3' ' HE ' ' A' ' 39' ' ' ARG . 78.0 m95 -77.42 135.79 38.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.634 0.255 . . . . 0.0 110.539 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.496 HG11 HD11 ' A' ' 23' ' ' LEU . 26.6 m -131.23 166.05 29.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.28 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 52.9 m -92.28 119.85 67.93 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.51 -3.67 13.87 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.415 2.077 . . . . 0.0 112.643 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.42 -5.03 42.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.105 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -128.04 6.8 6.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.6 mp -109.25 131.51 55.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.901 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -109.08 146.41 34.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.799 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 -62.39 126.81 28.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.843 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -142.25 136.75 30.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.815 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.6 pp -109.06 144.57 36.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.232 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.786 ' HD3' ' H ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -88.59 163.38 15.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.832 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.9 tt . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.577 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 69.9 mt . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.78 0.324 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.502 ' HB3' ' HB2' ' A' ' 30' ' ' GLU . 86.0 m-85 -79.24 165.31 23.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -122.27 111.35 16.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.863 0.363 . . . . 0.0 111.447 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.638 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 45.6 mt -84.51 136.55 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -114.54 160.12 19.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.664 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.69 135.35 63.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.391 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.0 t -87.56 125.94 41.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.763 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.7 p -129.93 18.48 5.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.273 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -135.43 8.06 3.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.323 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.5 t70 57.14 90.34 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.755 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -103.54 98.55 8.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.027 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 pp -117.1 142.39 29.93 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.726 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.484 ' HD3' ' HA ' ' A' ' 22' ' ' THR . 39.8 Cg_exo -58.85 120.35 8.18 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.44 2.094 . . . . 0.0 112.404 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 86.3 mt -81.64 95.88 7.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.238 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 86.67 -122.3 6.07 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.173 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -127.24 102.33 6.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.815 0.341 . . . . 0.0 111.137 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -109.83 153.07 24.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -95.56 144.94 25.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.02 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 58.96 21.25 9.03 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.09 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -108.34 148.6 29.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.183 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.49 ' HB ' ' HA3' ' A' ' 55' ' ' GLY . 17.8 tt -121.94 147.72 25.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.835 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.484 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 45.6 m -83.79 115.67 22.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.378 -179.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 76.0 mt -110.03 154.89 22.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.721 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -118.68 143.62 46.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.688 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -61.38 101.89 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.771 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 120.0 17.62 4.51 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.332 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -101.33 144.02 30.67 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 120.784 0.326 . . . . 0.0 111.01 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.406 ' HB3' HG21 ' A' ' 4' ' ' ILE . 56.3 m-85 -108.89 139.31 43.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.682 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.484 HG23 ' C ' ' A' ' 43' ' ' ARG . 2.1 p -159.2 123.52 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.464 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.638 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 11.0 pt-20 -75.5 153.48 37.49 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.94 178.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.469 ' HA ' HG12 ' A' ' 42' ' ' VAL . 14.5 p -92.43 142.61 12.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.252 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.412 HD12 HE21 ' A' ' 54' ' ' GLN . 71.2 mt -106.08 -70.44 0.79 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.884 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -115.1 166.57 11.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -110.36 -61.61 1.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.941 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 59.76 -87.11 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.409 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -87.75 119.56 70.63 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.595 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -51.08 -28.44 24.96 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.714 2.276 . . . . 0.0 112.664 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.3 tt -72.53 -63.57 1.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.741 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -113.09 130.02 56.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 30.7 m0 -105.76 154.86 19.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.223 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 64.1 tp -80.33 130.95 35.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.426 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.469 HG12 ' HA ' ' A' ' 31' ' ' VAL . 27.1 m -135.01 155.42 38.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.922 0.391 . . . . 0.0 111.402 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.484 ' C ' HG23 ' A' ' 29' ' ' VAL . 42.3 ttp180 -136.97 111.73 8.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.63 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 65.2 p -53.54 121.98 8.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.338 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -64.94 116.93 34.08 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.689 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -79.83 173.41 12.89 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.47 2.114 . . . . 0.0 112.767 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.0 t -169.47 144.24 2.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.601 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.3 mttm 65.38 -79.91 0.03 OUTLIER 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.5 t -154.95 24.45 0.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.99 0.424 . . . . 0.0 110.535 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 45.0 m -80.71 119.83 77.32 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.978 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -60.69 129.24 28.49 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.64 2.227 . . . . 0.0 112.323 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.4 t -85.61 142.83 28.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.782 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -134.58 157.03 47.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.948 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.412 HE21 HD12 ' A' ' 32' ' ' LEU . 46.8 mt-30 -127.12 131.72 50.74 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.49 ' HA3' ' HB ' ' A' ' 21' ' ' ILE . . . -151.27 162.39 29.49 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.65 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 52.4 m95 -104.31 115.34 30.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.745 0.307 . . . . 0.0 110.711 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.5 m -130.45 166.76 27.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.253 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.1 m -84.54 115.12 59.08 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.02 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.41 ' HA ' HD22 ' A' ' 62' ' ' LEU . 58.5 Cg_endo -71.12 -2.44 11.12 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.385 2.057 . . . . 0.0 112.439 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.68 -37.87 85.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.041 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -90.89 8.0 37.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.721 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' A' ' 59' ' ' PRO . 4.9 mp -100.97 167.63 10.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.084 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -133.75 137.13 45.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.752 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 65.4 mtm180 -65.61 133.98 52.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.258 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 63.6 ttt-85 -137.4 126.83 24.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.664 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 98.7 mt -126.77 137.19 53.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.017 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt 60.25 -178.01 0.1 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.21 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 60.6 tp . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.291 -0.861 . . . . 0.0 110.812 179.975 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 23.8 pt . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.812 0.339 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 57.0 -166.65 0.13 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.086 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -118.17 102.92 9.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.391 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.638 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 37.5 mt -84.53 133.04 30.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.002 179.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -111.48 156.34 21.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.935 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.6 p -119.49 128.1 75.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.033 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.9 t -80.23 113.64 19.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.438 ' HA ' ' HG3' ' A' ' 25' ' ' GLU . 41.4 p -128.21 32.73 4.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.415 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -149.52 3.89 0.58 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.634 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 61.58 111.86 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.102 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -127.9 102.99 7.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.087 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 29.8 tp -117.26 122.25 31.33 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.808 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 12' ' ' LEU . 31.4 Cg_exo -59.4 138.6 85.23 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.381 2.054 . . . . 0.0 112.264 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.0 mt -106.63 96.6 6.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.698 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.35 -139.12 14.71 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.516 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -122.02 109.53 14.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.782 0.325 . . . . 0.0 111.093 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -112.23 115.3 28.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -76.22 148.38 37.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 57.91 20.16 6.45 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.314 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -105.64 170.59 7.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.821 0.343 . . . . 0.0 111.053 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 17.2 tt -137.5 137.36 45.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.948 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.1 t -71.56 147.17 47.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.067 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.47 HD11 HG11 ' A' ' 57' ' ' VAL . 96.0 mt -132.0 156.15 46.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.009 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 -137.35 139.98 41.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.732 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.438 ' HG3' ' HA ' ' A' ' 8' ' ' THR . 38.9 tt0 -59.04 103.98 0.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.08 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 127.32 4.7 5.8 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.698 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -101.45 155.59 17.97 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 120.866 0.365 . . . . 0.0 111.154 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -118.43 140.58 49.64 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.535 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.466 HG23 ' HA ' ' A' ' 44' ' ' THR . 2.4 p -159.04 123.89 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -179.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.638 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 9.5 pt-20 -74.96 153.23 38.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.054 178.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.523 ' HA ' HG12 ' A' ' 42' ' ' VAL . 14.8 p -94.94 144.66 9.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.219 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 93.1 mt -104.98 -71.42 0.74 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.529 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -60.72 -77.97 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.791 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.52 87.34 0.1 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.996 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -143.04 -73.86 0.28 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.326 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 71.6 m80 -84.25 125.02 73.29 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -51.79 -23.01 14.81 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.669 2.246 . . . . 0.0 112.56 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.27 -66.62 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.426 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.517 HH21 ' HB2' ' A' ' 56' ' ' TRP . 10.8 ptm180 -145.15 144.15 30.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.292 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 50.8 m0 -122.23 154.36 37.62 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.313 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 37.7 tp -92.07 102.1 14.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.133 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.523 HG12 ' HA ' ' A' ' 31' ' ' VAL . 33.2 m -107.43 151.51 9.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.488 -179.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.482 ' HE ' ' HG2' ' A' ' 54' ' ' GLN . 39.0 ttm180 -129.0 114.64 16.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.494 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.466 ' HA ' HG23 ' A' ' 29' ' ' VAL . 80.4 p -54.86 127.73 29.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.879 0.371 . . . . 0.0 111.233 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.464 ' NZ ' ' HB2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -74.55 122.06 86.65 Favored Pre-proline 0 CA--C 1.532 0.282 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.997 -179.801 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -81.14 -174.31 2.17 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.484 2.122 . . . . 0.0 112.448 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.3 t -139.08 -46.83 0.47 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.525 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.423 ' H ' ' H ' ' A' ' 49' ' ' SER . 5.4 ttpm? 179.2 -6.43 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.316 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.423 ' H ' ' H ' ' A' ' 48' ' ' LYS . 86.4 p -154.01 -8.74 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.177 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.427 ' HA ' ' HD2' ' A' ' 51' ' ' PRO . 47.6 t -82.23 112.41 35.76 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.798 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 50' ' ' SER . 20.6 Cg_endo -59.96 115.91 2.95 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.474 2.116 . . . . 0.0 112.186 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.3 p -84.27 117.96 23.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.096 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -126.34 151.06 48.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.555 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.482 ' HG2' ' HE ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -115.66 131.1 57.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.056 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -150.97 150.96 23.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.52 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.517 ' HB2' HH21 ' A' ' 39' ' ' ARG . 88.2 m95 -76.62 121.86 23.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.827 0.346 . . . . 0.0 110.904 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.47 HG11 HD11 ' A' ' 23' ' ' LEU . 30.9 m -131.27 171.81 17.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.206 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.0 p -95.78 118.22 66.04 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.829 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -73.23 -6.73 19.4 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.283 1.989 . . . . 0.0 112.312 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.88 -32.99 74.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.2 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -93.74 9.84 35.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.939 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.8 mp -113.56 148.04 36.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -111.21 133.61 53.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.725 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -60.06 130.79 48.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.935 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -136.85 107.14 6.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.736 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 88.4 mt -121.47 133.31 55.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.016 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -147.12 -9.59 0.44 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.213 -0.899 . . . . 0.0 111.02 -179.9 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 41.7 pt . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.785 0.326 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.524 ' HB2' ' HB2' ' A' ' 30' ' ' GLU . 59.2 m-85 -142.26 -164.92 1.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.963 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -98.15 107.13 19.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.797 0.332 . . . . 0.0 111.745 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.64 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 44.4 mt -85.24 117.67 30.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.371 179.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -95.35 126.02 40.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.633 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -85.16 133.62 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.024 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.5 t -85.03 123.98 39.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.955 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.4 p -129.39 14.64 6.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.057 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -130.77 13.24 5.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.28 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.7 t70 68.74 -70.59 0.13 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.349 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 56.5 t80 65.55 84.75 0.15 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.034 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.87 107.57 43.97 Favored Pre-proline 0 CA--C 1.532 0.255 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.628 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -59.32 138.03 82.08 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.351 2.034 . . . . 0.0 112.351 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.0 mt -98.71 96.53 7.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.477 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.48 -168.79 14.89 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.246 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.36 103.21 15.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.718 0.294 . . . . 0.0 111.017 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -99.81 149.05 23.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.856 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -75.8 146.09 40.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.1 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.1 p30 43.51 30.8 0.37 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.493 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -101.23 167.04 10.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 16.8 tt -143.9 142.53 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.951 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 73.4 p -88.64 143.46 26.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.176 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.474 HD11 HG11 ' A' ' 57' ' ' VAL . 97.0 mt -135.7 168.68 18.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -134.36 142.11 47.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.748 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -60.3 103.77 0.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.568 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.84 13.98 3.56 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.229 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -100.96 155.29 18.05 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.951 0.405 . . . . 0.0 111.144 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -123.24 138.39 54.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.276 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.449 HG23 ' HA ' ' A' ' 44' ' ' THR . 2.4 p -154.81 123.7 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.64 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 10.3 pt-20 -75.54 153.66 37.3 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.715 178.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.484 ' HA ' HG12 ' A' ' 42' ' ' VAL . 7.1 p -92.9 134.8 29.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.275 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.501 HD11 ' HB2' ' A' ' 43' ' ' ARG . 68.4 mt -85.01 -67.84 0.77 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.678 179.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -112.21 156.97 21.47 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.069 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -153.46 117.52 4.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.086 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -157.34 -18.47 0.09 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.303 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 -117.55 113.13 38.65 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.087 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -53.67 -23.86 27.6 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.646 2.231 . . . . 0.0 112.416 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 tt -60.04 -69.44 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.723 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -144.31 127.15 16.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 12.6 m0 -94.99 153.05 17.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.2 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 59.4 tp -80.94 122.83 27.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.454 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.484 HG12 ' HA ' ' A' ' 31' ' ' VAL . 33.7 m -126.09 162.77 29.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 121.073 0.463 . . . . 0.0 111.898 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.501 ' HB2' HD11 ' A' ' 32' ' ' LEU . 29.0 ttt180 -142.41 111.7 6.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.528 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.449 ' HA ' HG23 ' A' ' 29' ' ' VAL . 30.5 p -58.42 148.04 29.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.301 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.43 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 58.3 mtpt -84.59 143.09 40.6 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.745 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 45' ' ' LYS . 58.8 Cg_endo -90.07 154.82 4.8 Favored 'Trans proline' 0 N--CA 1.454 -0.796 0 C-N-CA 122.803 2.335 . . . . 0.0 112.67 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.4 p -93.81 36.42 1.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.953 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt 63.47 17.96 10.71 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.032 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 48.2 t -162.34 -34.66 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 43.9 t -83.88 123.45 75.87 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.057 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -57.63 133.95 59.91 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.628 2.219 . . . . 0.0 112.228 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.8 m -79.19 149.12 32.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 30.8 tpt180 -128.0 139.65 52.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.73 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -112.16 127.1 55.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.156 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -152.32 163.13 30.15 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.254 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 80.1 m95 -89.79 128.19 36.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.707 0.289 . . . . 0.0 110.588 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.474 HG11 HD11 ' A' ' 23' ' ' LEU . 35.3 m -121.72 163.57 19.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.425 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 59.8 m -94.78 117.19 66.94 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.833 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.474 ' HA ' ' HB2' ' A' ' 62' ' ' LEU . 40.2 Cg_endo -67.5 -10.24 28.05 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.458 2.105 . . . . 0.0 112.457 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.33 -32.57 74.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.152 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -105.05 3.68 30.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.823 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.474 ' HB2' ' HA ' ' A' ' 59' ' ' PRO . 8.4 mp -109.51 147.39 33.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.04 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -122.64 122.38 38.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.92 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -63.69 141.81 58.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.726 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -139.42 128.4 23.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.926 0.393 . . . . 0.0 111.453 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.8 mp -121.67 101.9 7.89 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.59 179.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -94.82 134.12 37.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.954 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 tt . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.284 -0.865 . . . . 0.0 110.561 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 30.0 pt . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.774 0.321 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -85.45 170.42 12.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.972 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -122.24 109.67 14.76 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.307 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.638 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 36.9 mt -84.77 115.45 26.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.917 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -94.69 142.67 27.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.771 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.5 p -101.93 135.03 40.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 38.5 t -94.01 116.73 35.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.5 p -120.83 10.0 10.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.997 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -116.11 21.64 13.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.169 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.446 ' HA ' ' HB2' ' A' ' 25' ' ' GLU . 9.6 m-20 64.01 -80.13 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.203 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 42.3 t80 61.76 83.6 0.15 Allowed 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.235 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 mp -117.53 108.66 42.92 Favored Pre-proline 0 C--N 1.332 -0.189 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.092 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -58.6 131.35 41.91 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.184 1.922 . . . . 0.0 112.084 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.7 mt -90.86 96.21 10.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.907 0.384 . . . . 0.0 110.772 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.11 -164.49 13.16 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.302 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -103.17 100.15 10.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.813 0.339 . . . . 0.0 110.961 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -100.66 138.67 37.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -72.9 143.05 47.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 57.85 22.98 9.19 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.182 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -119.32 137.45 53.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.178 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.0 tt -114.6 138.56 44.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.6 p -74.1 137.97 43.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.741 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.401 HD11 HG11 ' A' ' 57' ' ' VAL . 84.5 mt -132.77 145.81 51.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.168 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -120.41 143.98 48.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.596 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.446 ' HB2' ' HA ' ' A' ' 10' ' ' ASP . 0.7 OUTLIER -55.21 101.28 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.592 179.875 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.97 17.36 2.78 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.578 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -101.28 134.9 43.64 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 120.84 0.352 . . . . 0.0 111.161 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -104.22 139.43 39.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.517 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.8 p -159.39 123.98 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.638 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 10.0 pt-20 -74.75 153.53 38.77 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.143 179.059 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.566 ' HA ' HG12 ' A' ' 42' ' ' VAL . 11.9 p -95.4 140.68 16.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.18 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 67.4 mt -96.39 -69.29 0.76 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.653 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -125.24 166.53 16.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.751 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -113.83 -56.65 2.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 59.58 -87.03 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.288 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -104.0 126.48 31.64 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.667 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.572 ' HA ' ' HE1' ' A' ' 40' ' ' TRP . 71.2 Cg_exo -53.5 -23.86 26.42 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.633 2.222 . . . . 0.0 112.715 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.5 tt -57.36 -55.04 39.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -137.06 138.69 40.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.941 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.572 ' HE1' ' HA ' ' A' ' 37' ' ' PRO . 54.8 m0 -109.98 153.04 25.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 49.8 tp -85.98 130.23 34.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.481 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.566 HG12 ' HA ' ' A' ' 31' ' ' VAL . 34.4 m -145.05 139.42 22.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.754 0.311 . . . . 0.0 111.653 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.517 ' HB3' ' HB3' ' A' ' 54' ' ' GLN . 14.0 ptm180 -124.03 115.64 21.53 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.307 179.122 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.9 p -65.22 154.87 36.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.232 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -84.6 139.81 38.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.676 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -70.52 138.07 34.6 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.267 1.978 . . . . 0.0 112.233 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.436 HG23 ' OG ' ' A' ' 49' ' ' SER . 7.3 t -94.81 36.39 1.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.084 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.3 mttp 63.42 13.58 7.23 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.385 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.436 ' OG ' HG23 ' A' ' 47' ' ' THR . 86.3 p -149.63 -17.83 0.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.175 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 62.8 m -128.91 117.8 19.42 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -57.42 152.85 44.42 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.464 2.109 . . . . 0.0 112.356 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.6 t -67.12 124.93 24.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.152 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 53' ' ' ARG . 20.9 mtm180 -118.21 125.02 49.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.638 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.517 ' HB3' ' HB3' ' A' ' 43' ' ' ARG . 8.0 pt20 -99.84 134.77 42.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.0 0.429 . . . . 0.0 111.365 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -151.25 138.43 6.57 Favored Glycine 0 N--CA 1.451 -0.321 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.19 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 60.9 m95 -74.51 125.06 27.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.73 0.3 . . . . 0.0 110.728 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.401 HG11 HD11 ' A' ' 23' ' ' LEU . 34.9 m -132.85 172.08 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.217 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 56.6 m -85.47 113.38 50.5 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.929 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -71.02 -2.82 11.67 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.466 2.111 . . . . 0.0 112.534 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.41 -11.36 59.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.177 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -117.3 3.8 12.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.698 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.5 mp -114.39 136.18 53.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.385 -179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -117.84 131.87 56.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.317 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -55.59 149.83 13.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.962 0.41 . . . . 0.0 111.032 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 27.0 ttt180 -143.63 127.07 16.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.847 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.2 tp -105.16 119.97 40.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.968 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -76.14 121.78 23.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.025 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 95.4 mt . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.132 -0.937 . . . . 0.0 110.906 179.914 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 35.7 pt . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.741 0.305 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.478 ' HB3' ' HB2' ' A' ' 30' ' ' GLU . 52.2 m-85 -95.76 167.37 11.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.638 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -122.14 111.29 16.8 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.218 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.651 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 46.5 mt -84.54 122.68 38.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.539 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -95.91 155.11 16.89 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.624 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 63' ' ' ASP . 13.1 p -121.28 138.73 50.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.109 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.7 t -88.8 119.1 35.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.8 p -127.28 17.51 7.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.117 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -132.73 2.97 3.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.394 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.1 t70 60.31 101.95 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.2 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -102.95 93.3 4.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.789 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 76.6 mt -112.99 105.28 55.81 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.685 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.436 ' HG2' HG22 ' A' ' 22' ' ' THR . 36.2 Cg_exo -58.73 128.98 30.1 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.47 2.113 . . . . 0.0 112.485 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 86.1 mt -91.6 96.24 10.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.59 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.85 -137.64 14.03 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.525 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -126.66 109.18 11.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.757 0.313 . . . . 0.0 111.085 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -106.22 124.44 49.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -63.0 149.45 44.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.264 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.2 p30 43.87 31.86 0.54 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.695 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -115.89 148.51 39.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.866 0.365 . . . . 0.0 111.042 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 14.2 tt -117.12 140.94 37.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.944 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.436 HG22 ' HG2' ' A' ' 13' ' ' PRO . 70.8 p -80.99 147.39 30.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.183 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.498 HD11 HG11 ' A' ' 57' ' ' VAL . 90.1 mt -139.1 166.56 24.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.174 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -135.86 143.04 44.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.577 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -60.17 106.97 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.69 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 120.49 17.91 4.22 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.422 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -101.21 166.02 10.99 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 120.88 0.371 . . . . 0.0 111.123 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.44 ' HB3' HG21 ' A' ' 4' ' ' ILE . 32.7 m-85 -133.01 135.45 45.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.768 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.434 ' N ' HG23 ' A' ' 4' ' ' ILE . 2.4 p -159.63 123.79 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.525 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.651 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 0.6 OUTLIER -76.84 153.39 34.86 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.137 179.277 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.569 ' HA ' HG12 ' A' ' 42' ' ' VAL . 12.7 p -87.68 143.22 11.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.176 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.588 HD11 ' HB2' ' A' ' 43' ' ' ARG . 97.1 mt -94.11 -73.0 0.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.852 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -94.51 -173.63 3.1 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -144.31 11.76 1.53 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.226 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.25 147.04 50.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.297 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 71.3 m80 59.68 98.31 0.04 OUTLIER Pre-proline 0 CA--C 1.53 0.197 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.403 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -52.79 -25.19 26.13 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 122.561 2.174 . . . . 0.0 112.37 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 61.2 tp -60.26 -66.12 0.57 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.967 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -125.6 135.78 52.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 18.5 m0 -112.42 152.27 28.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.791 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.9 tp -79.77 136.84 36.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.586 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.569 HG12 ' HA ' ' A' ' 31' ' ' VAL . 27.0 m -142.98 150.22 18.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.917 0.389 . . . . 0.0 111.545 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.588 ' HB2' HD11 ' A' ' 32' ' ' LEU . 40.5 ttm180 -136.88 111.9 8.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.436 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.406 ' HA ' HG23 ' A' ' 29' ' ' VAL . 44.9 p -57.74 155.89 9.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.515 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -85.71 133.98 40.64 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.844 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -78.2 136.81 14.74 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.47 2.113 . . . . 0.0 112.451 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.1 t -161.32 151.82 17.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt 60.48 45.43 10.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.754 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 48.5 m 61.27 20.31 10.92 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.504 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.9 m -100.56 122.91 47.94 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.865 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -62.72 154.28 66.73 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.717 2.278 . . . . 0.0 112.399 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.7 p -91.66 126.68 36.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.073 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -102.74 160.41 14.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -132.69 127.04 33.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.715 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -152.28 163.52 30.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.514 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 77.2 m95 -92.81 129.44 38.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.738 0.304 . . . . 0.0 110.602 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.498 HG11 HD11 ' A' ' 23' ' ' LEU . 35.8 m -130.45 162.65 37.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.819 0.343 . . . . 0.0 111.461 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 52.6 m -90.33 114.75 62.18 Favored Pre-proline 0 CA--C 1.531 0.227 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.739 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -71.71 -0.45 8.36 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.328 2.019 . . . . 0.0 112.458 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.06 -4.45 28.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.182 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -130.21 9.24 5.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.994 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -109.62 156.28 20.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.383 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.407 ' O ' HG12 ' A' ' 6' ' ' VAL . 17.8 t70 -126.21 110.55 13.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.159 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 20.3 ptp180 -56.61 149.23 17.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.011 0.434 . . . . 0.0 111.402 -179.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.541 ' HE ' ' H ' ' A' ' 66' ' ' LEU . 6.0 tpm_? -141.18 138.37 33.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.51 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.541 ' H ' ' HE ' ' A' ' 65' ' ' ARG . 5.2 mp -94.31 124.49 38.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.798 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.567 ' HA ' ' HE2' ' A' ' 67' ' ' LYS . 0.3 OUTLIER -102.67 137.28 41.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.943 -179.866 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 76.2 mt . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.319 -0.848 . . . . 0.0 110.854 179.858 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 7.7 tp . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.889 0.376 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.476 ' HB3' ' HB2' ' A' ' 30' ' ' GLU . 92.7 m-85 -62.9 174.51 1.06 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -122.18 105.26 10.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.873 0.368 . . . . 0.0 111.54 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.641 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 47.6 mt -84.97 114.73 25.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.025 179.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -94.67 141.53 28.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.72 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.1 p -102.1 132.99 46.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.027 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.8 t -85.89 112.77 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.949 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.5 p -118.74 20.88 12.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.27 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -137.33 9.94 2.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.306 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.1 t70 62.75 162.27 0.09 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.797 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -161.73 93.38 0.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 63.4 tp -117.22 107.74 44.94 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.03 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -57.78 144.09 94.12 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.458 2.105 . . . . 0.0 112.549 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.2 mt -88.43 95.77 10.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.542 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.78 -134.45 18.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.367 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.46 112.71 24.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.775 0.321 . . . . 0.0 110.805 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -120.23 129.37 54.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.766 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.401 ' OE1' ' N ' ' A' ' 18' ' ' GLN . 14.1 mp0 -86.96 149.62 24.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.067 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 60.99 23.6 13.75 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.043 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -123.5 158.88 30.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.024 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.9 tt -135.9 133.52 50.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.8 t -58.63 137.23 57.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.43 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.4 mt -147.26 168.3 22.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.847 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -139.83 159.48 42.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.918 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -72.05 101.83 2.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.61 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 127.76 15.07 2.44 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.437 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -101.2 155.68 17.87 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 120.828 0.347 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -118.94 138.29 52.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.769 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.418 HG22 ' HB ' ' A' ' 42' ' ' VAL . 2.8 p -158.48 123.93 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-O 120.975 0.417 . . . . 0.0 112.033 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.641 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 11.4 pt-20 -75.16 153.46 38.19 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.821 178.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.51 ' HA ' HG12 ' A' ' 42' ' ' VAL . 13.2 p -95.17 136.27 26.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.286 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.1 mt -93.83 -52.05 4.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.881 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -139.31 173.79 11.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.05 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -124.73 -69.24 0.81 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 60.65 -85.37 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.665 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -90.89 118.04 68.34 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.984 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.544 ' HA ' ' HE1' ' A' ' 40' ' ' TRP . 74.4 Cg_exo -54.37 -26.2 42.92 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.699 2.266 . . . . 0.0 112.499 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 98.1 mt -61.87 -44.89 95.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.015 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -145.04 131.64 19.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.172 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.544 ' HE1' ' HA ' ' A' ' 37' ' ' PRO . 52.7 m0 -106.6 145.95 31.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.436 HD11 ' HG2' ' A' ' 54' ' ' GLN . 55.7 tp -80.29 131.98 35.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.924 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.51 HG12 ' HA ' ' A' ' 31' ' ' VAL . 31.5 m -135.76 160.98 39.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.59 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.41 ' C ' HG23 ' A' ' 29' ' ' VAL . 52.7 ttp180 -137.03 111.94 8.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.48 179.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.411 ' HA ' HG23 ' A' ' 29' ' ' VAL . 34.9 p -62.71 158.21 19.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.327 -179.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -86.64 127.95 58.5 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.869 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -75.05 150.23 37.64 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.457 2.105 . . . . 0.0 112.593 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.4 p -102.89 -159.26 0.72 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.813 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.0 mmtm -76.56 3.48 11.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.45 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.1 m -154.88 -30.81 0.1 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.455 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 45.8 t -84.02 114.37 53.82 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.328 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -65.81 157.63 57.94 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.593 2.195 . . . . 0.0 112.083 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.3 t -72.41 123.05 22.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.044 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -109.41 145.12 36.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.552 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.436 ' HG2' HD11 ' A' ' 41' ' ' LEU . 27.9 tt0 -122.76 127.28 48.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.855 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -151.92 162.69 29.83 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.661 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 79.0 m95 -89.91 138.51 31.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.684 0.278 . . . . 0.0 110.535 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.4 m -134.57 171.96 16.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.346 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 59.9 p -94.09 111.15 52.07 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.692 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.47 -3.4 12.4 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.301 2.001 . . . . 0.0 112.483 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.6 -3.4 30.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.119 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -132.83 13.54 4.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.7 mp -110.74 143.63 40.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.466 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -116.02 127.25 54.76 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.507 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -73.63 130.86 40.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.985 0.422 . . . . 0.0 111.396 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.6 mtp180 -142.27 141.46 32.47 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.487 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 85.6 mt -113.13 122.11 46.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.073 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -103.92 111.72 24.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.696 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.576 ' N ' HD23 ' A' ' 68' ' ' LEU . 1.1 pt? . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.604 -0.712 . . . . 0.0 111.103 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 65.1 mt . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.708 0.29 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 60.53 101.86 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.102 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.486 ' O ' ' HA ' ' A' ' 30' ' ' GLU . 12.5 t0 -95.86 103.62 15.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.605 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.595 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 42.8 mt -83.85 138.24 19.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.986 0.422 . . . . 0.0 111.436 -179.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -120.88 160.08 24.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.533 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.7 p -122.95 130.42 74.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.099 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 49.0 t -82.47 121.41 35.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.703 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.436 ' HA ' ' HG2' ' A' ' 25' ' ' GLU . 79.0 p -127.84 29.71 5.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.246 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -144.12 10.11 1.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.31 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 55.88 93.69 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.066 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.418 ' C ' HD22 ' A' ' 12' ' ' LEU . 55.7 t80 -91.28 82.43 5.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.867 0.365 . . . . 0.0 110.847 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.418 HD22 ' C ' ' A' ' 11' ' ' TYR . 4.1 mm? -115.92 108.98 45.61 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.1 133.94 56.37 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.33 2.02 . . . . 0.0 112.212 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 78.3 mt -102.46 96.75 7.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.667 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 114.21 -164.72 12.04 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.275 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.43 97.7 10.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.797 0.332 . . . . 0.0 111.082 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -109.53 153.03 24.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.456 ' CD ' ' H ' ' A' ' 18' ' ' GLN . 5.4 pm0 -104.59 148.51 26.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.596 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 59.83 18.6 7.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -107.49 125.79 51.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.157 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 14.7 tt -102.71 139.3 24.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.1 p -80.17 125.06 29.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.534 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.7 mt -127.57 142.58 51.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.951 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -106.4 133.62 50.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.773 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.436 ' HG2' ' HA ' ' A' ' 8' ' ' THR . 2.1 tm-20 -51.74 115.09 1.48 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.716 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 117.12 13.36 7.73 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.291 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -101.25 152.73 20.32 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 120.806 0.336 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -117.01 137.7 52.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.482 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.441 ' HB ' HG22 ' A' ' 44' ' ' THR . 2.2 p -159.0 124.48 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -179.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.595 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 0.2 OUTLIER -80.41 153.14 28.46 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.392 178.633 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.535 ' HA ' HG12 ' A' ' 42' ' ' VAL . 11.9 p -87.5 137.04 21.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.896 0.379 . . . . 0.0 111.483 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.4 mt -87.98 -77.22 0.36 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.883 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -102.56 129.7 49.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -101.45 105.41 16.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -145.48 125.89 14.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 33.7 m80 63.78 109.69 0.03 OUTLIER Pre-proline 0 CA--C 1.532 0.262 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.983 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -51.54 -23.88 15.7 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.723 2.282 . . . . 0.0 112.699 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.8 mt -56.01 -55.52 31.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.174 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.584 HH21 ' HB2' ' A' ' 56' ' ' TRP . 11.5 ptm180 -146.07 131.34 18.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.083 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 21.9 m0 -111.85 155.38 23.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.035 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 54.0 tp -85.8 120.14 26.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.671 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.535 HG12 ' HA ' ' A' ' 31' ' ' VAL . 22.2 m -128.66 158.58 40.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.888 0.375 . . . . 0.0 111.601 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -139.52 111.79 7.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.441 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.441 HG22 ' HB ' ' A' ' 29' ' ' VAL . 24.7 p -68.62 152.31 45.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.967 0.413 . . . . 0.0 111.6 -179.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -73.59 120.56 81.79 Favored Pre-proline 0 CA--C 1.531 0.232 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.758 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.4 ' HB3' ' N ' ' A' ' 52' ' ' SER . 27.8 Cg_endo -62.84 153.14 74.82 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.367 2.045 . . . . 0.0 112.426 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 54.8 p -83.06 -161.81 0.54 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.872 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -95.49 14.35 23.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.259 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 83.0 p -159.99 3.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.114 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 39.5 t -131.41 128.02 21.84 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.314 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -61.69 159.39 32.93 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.846 2.364 . . . . 0.0 112.26 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.4 ' N ' ' HB3' ' A' ' 46' ' ' PRO . 41.1 t -66.78 150.41 49.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.164 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -130.24 116.14 17.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.889 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -104.25 127.7 51.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.796 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -151.34 163.09 29.77 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.621 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.584 ' HB2' HH21 ' A' ' 39' ' ' ARG . 47.0 m95 -86.94 125.93 34.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.738 0.304 . . . . 0.0 110.438 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 33.1 m -122.87 167.68 16.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.407 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 57.0 m -97.83 118.46 63.94 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.826 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -68.88 -4.24 13.0 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.365 2.043 . . . . 0.0 112.638 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.53 -8.42 51.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.247 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -126.72 8.92 6.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.688 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.2 mp -106.68 142.93 35.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.225 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -114.64 149.11 37.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.847 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -80.73 123.01 27.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.503 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.4 ' HD2' HH11 ' A' ' 65' ' ' ARG . 11.3 ptm180 -143.43 130.1 20.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.947 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.534 ' N ' HD23 ' A' ' 66' ' ' LEU . 1.4 pt? -131.29 110.87 11.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.03 0.443 . . . . 0.0 110.878 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -144.34 141.21 29.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.924 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.418 ' N ' HD12 ' A' ' 68' ' ' LEU . 6.8 mp . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.284 -0.865 . . . . 0.0 110.789 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 45.7 mm . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.696 0.284 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.51 ' HB3' ' HB2' ' A' ' 30' ' ' GLU . 66.8 m-85 62.13 169.85 0.12 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.953 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.444 ' HB2' HG12 ' A' ' 31' ' ' VAL . 10.7 m-20 -122.39 100.69 7.07 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.333 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.652 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 65.7 mt -84.38 111.67 20.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.999 179.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -94.82 127.88 41.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.8 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.0 p -85.75 132.24 32.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.108 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 47.3 t -83.72 119.56 33.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.667 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.8 t -135.05 23.38 3.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.371 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -130.52 2.35 4.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.069 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.6 t70 61.81 109.32 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.987 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -118.59 91.4 3.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.936 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.42 HD12 ' HD2' ' A' ' 13' ' ' PRO . 57.8 tp -117.31 118.15 35.91 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.42 ' HD2' HD12 ' A' ' 12' ' ' LEU . 34.7 Cg_exo -59.03 150.22 74.43 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.379 2.053 . . . . 0.0 112.447 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.465 ' N ' HD12 ' A' ' 14' ' ' LEU . 4.9 mp -104.79 96.41 6.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.773 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.73 -137.95 13.64 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.546 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -118.89 106.58 12.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.871 0.367 . . . . 0.0 111.027 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -116.61 147.75 41.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.951 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -87.82 148.6 24.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 58.87 23.39 11.3 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.069 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -112.55 130.11 56.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.225 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.401 ' HB ' ' HA3' ' A' ' 55' ' ' GLY . 16.3 tt -103.59 143.82 15.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.2 p -86.79 118.74 26.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.106 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.0 mt -118.43 159.57 23.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.978 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.5 mmm180 -125.57 145.36 50.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.74 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -62.49 98.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.833 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 129.01 14.79 2.19 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.379 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -101.12 152.76 20.23 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 120.928 0.394 . . . . 0.0 111.209 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -112.11 136.28 51.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.286 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.432 ' N ' HG23 ' A' ' 4' ' ' ILE . 3.6 p -158.99 124.53 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.851 0.358 . . . . 0.0 111.891 -179.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.652 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 0.4 OUTLIER -76.52 153.75 35.19 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.057 179.007 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.472 ' HA ' HG12 ' A' ' 42' ' ' VAL . 13.1 p -95.4 142.06 14.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.139 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 90.8 mt -102.94 -68.61 0.83 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.777 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.488 ' HB3' ' HB3' ' A' ' 41' ' ' LEU . 29.6 t70 -97.23 146.06 25.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.784 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -123.49 7.95 8.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.368 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.48 138.22 58.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.031 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 60.92 101.3 0.04 OUTLIER Pre-proline 0 CA--C 1.531 0.245 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.018 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.488 ' HA ' ' HE1' ' A' ' 40' ' ' TRP . 74.4 Cg_exo -52.34 -22.35 15.67 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.8 2.333 . . . . 0.0 112.773 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -49.67 -57.05 7.96 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.066 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -147.59 140.25 24.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.739 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.488 ' HE1' ' HA ' ' A' ' 37' ' ' PRO . 54.0 m0 -115.36 151.04 35.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.143 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.513 HD11 ' HB3' ' A' ' 54' ' ' GLN . 54.6 tp -84.66 138.72 32.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.458 179.398 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.472 HG12 ' HA ' ' A' ' 31' ' ' VAL . 32.4 m -139.76 155.79 25.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.964 0.412 . . . . 0.0 111.446 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -132.74 111.9 11.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.238 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.1 p -67.68 143.99 55.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.902 0.382 . . . . 0.0 111.146 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -63.82 119.63 56.36 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.718 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -70.39 148.51 61.13 Favored 'Trans proline' 0 C--N 1.35 0.605 0 C-N-CA 122.294 1.996 . . . . 0.0 112.422 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.8 p -112.53 -162.81 0.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.016 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.434 ' NZ ' ' HB2' ' A' ' 48' ' ' LYS . 4.8 ttmp? -75.07 -10.46 59.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.193 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.3 t -140.43 6.29 2.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.614 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.408 ' HA ' ' HD2' ' A' ' 51' ' ' PRO . 45.2 t -120.93 111.89 33.89 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.086 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 50' ' ' SER . 56.7 Cg_endo -68.13 158.97 55.12 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.697 2.265 . . . . 0.0 112.227 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 77.0 p -67.71 112.62 4.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.6 tpt180 -111.11 155.56 22.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.784 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.513 ' HB3' HD11 ' A' ' 41' ' ' LEU . 23.2 mt-30 -136.25 130.89 33.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.777 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.401 ' HA3' ' HB ' ' A' ' 21' ' ' ILE . . . -151.17 163.04 29.7 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.75 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -90.7 140.71 29.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.749 0.309 . . . . 0.0 110.741 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.0 m -138.82 170.89 15.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.384 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.6 m -99.59 113.94 65.28 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.568 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.401 ' HA ' ' HB2' ' A' ' 62' ' ' LEU . 46.0 Cg_endo -67.59 -5.68 14.79 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.334 2.023 . . . . 0.0 112.47 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.16 -17.44 63.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.119 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -118.54 12.82 13.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.401 ' HB2' ' HA ' ' A' ' 59' ' ' PRO . 7.9 mp -103.1 135.94 43.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.187 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -108.61 118.78 37.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.721 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.699 ' HD3' ' H ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -62.68 120.59 11.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.362 -179.697 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 65' ' ' ARG . 23.4 ttt180 -143.42 140.89 30.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.725 179.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 33.4 tp -118.08 114.42 23.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.034 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.419 ' HB2' ' NZ ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -91.62 -23.19 19.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.771 179.818 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 82.8 mt . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.293 -0.861 . . . . 0.0 110.769 179.971 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 64.6 mt . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 120.883 0.373 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.514 ' HB3' ' HB2' ' A' ' 30' ' ' GLU . 31.0 m-85 -60.79 161.55 7.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -121.75 111.97 17.81 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.825 0.345 . . . . 0.0 111.115 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.644 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 40.3 mt -84.26 136.65 22.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.294 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -112.89 145.44 40.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.626 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.9 p -107.31 128.93 61.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.989 0.423 . . . . 0.0 110.92 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 40.0 t -78.31 107.39 10.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.805 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 79.5 p -113.85 16.69 18.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.288 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -137.74 10.6 2.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.364 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.3 t70 63.65 158.88 0.08 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.149 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -157.91 88.5 0.97 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.824 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.47 HD12 ' HD2' ' A' ' 13' ' ' PRO . 47.8 tp -106.71 123.45 38.58 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.47 ' HD2' HD12 ' A' ' 12' ' ' LEU . 40.5 Cg_exo -58.79 148.16 84.78 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 122.368 2.045 . . . . 0.0 112.409 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.8 mt -99.06 95.94 7.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.603 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.91 -95.41 0.72 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.625 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -117.54 112.85 21.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.868 0.366 . . . . 0.0 111.161 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.427 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -82.62 134.61 35.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.113 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -109.56 117.09 33.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 58.96 18.25 6.07 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.983 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.427 ' HB3' ' HB2' ' A' ' 17' ' ' GLU . . . -114.3 165.64 12.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.017 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.6 tt -125.67 135.79 62.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.075 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.7 t -68.62 145.33 54.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.978 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.4 mt -146.28 169.26 19.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.106 0.479 . . . . 0.0 111.355 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.2 mtt180 -133.95 149.95 51.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.335 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -62.75 93.77 0.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.971 0.415 . . . . 0.0 110.625 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 136.21 17.61 0.78 Allowed Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.168 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -101.06 144.59 29.79 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 120.852 0.358 . . . . 0.0 110.808 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.433 ' HB3' HG21 ' A' ' 4' ' ' ILE . 13.3 m-85 -108.75 135.88 49.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.742 -179.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.481 HG22 ' HB ' ' A' ' 42' ' ' VAL . 2.8 p -157.59 123.54 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-O 120.98 0.419 . . . . 0.0 111.924 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.644 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 8.9 pt-20 -77.68 153.92 32.62 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.739 179.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.603 ' HA ' HG12 ' A' ' 42' ' ' VAL . 13.9 p -88.27 144.7 8.63 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.056 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 90.3 mt -112.76 -71.24 0.76 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.483 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.429 ' HB2' ' HB3' ' A' ' 41' ' ' LEU . 15.0 t70 -57.27 -75.14 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.64 -179.328 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.94 91.16 0.07 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.038 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -140.4 -70.63 0.38 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.287 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.483 ' ND1' ' HG ' ' A' ' 38' ' ' LEU . 2.2 t-80 -107.88 134.06 20.23 Favored Pre-proline 0 CA--C 1.531 0.23 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.813 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.424 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 88.8 Cg_exo -51.15 -21.16 8.79 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.769 2.313 . . . . 0.0 112.64 -179.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.483 ' HG ' ' ND1' ' A' ' 36' ' ' HIS . 60.6 mt -51.58 -69.43 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.353 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -147.71 132.9 18.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.176 -179.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 26.6 m0 -115.42 150.74 35.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.273 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.429 ' HB3' ' HB2' ' A' ' 33' ' ' ASP . 34.6 tp -87.23 117.64 26.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.037 179.094 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.603 HG12 ' HA ' ' A' ' 31' ' ' VAL . 18.0 m -126.17 150.36 31.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.839 0.352 . . . . 0.0 111.805 -179.202 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.471 ' C ' HG23 ' A' ' 29' ' ' VAL . 15.6 ttm180 -124.75 113.7 18.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.621 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.9 p -62.49 142.09 58.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.849 0.357 . . . . 0.0 111.194 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -72.68 130.56 85.36 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.139 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -75.08 165.59 30.88 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.427 2.085 . . . . 0.0 112.09 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.0 t -151.15 135.48 16.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.307 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt 64.52 -80.82 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.404 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.7 t -150.24 19.0 0.86 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.03 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 47.7 t -82.24 122.34 79.26 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.942 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo -59.81 141.06 96.05 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.593 2.195 . . . . 0.0 112.103 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.7 p -75.91 127.23 32.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.962 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 -121.18 132.35 54.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.698 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.417 ' HB3' ' HB2' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -116.88 134.4 54.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.473 -179.727 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -150.11 154.9 25.95 Favored Glycine 0 N--CA 1.451 -0.331 0 CA-C-N 115.848 -0.614 . . . . 0.0 112.317 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 65.1 m95 -75.56 123.0 24.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.729 0.3 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 28.4 m -122.76 164.53 19.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.171 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.1 p -88.5 110.62 38.09 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.43 -7.77 21.84 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.498 2.132 . . . . 0.0 112.839 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.82 -14.1 62.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.097 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -116.38 11.75 15.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.716 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.0 mp -110.67 149.96 29.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.197 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -117.1 144.39 44.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.435 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.624 ' HD3' ' H ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -64.0 132.55 50.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.908 0.385 . . . . 0.0 111.071 -179.803 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -143.3 105.88 4.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.816 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.452 ' N ' HD12 ' A' ' 66' ' ' LEU . 6.7 mp -104.76 139.72 39.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.9 tptp 63.9 147.67 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.095 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 52.1 tp . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.928 -179.761 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 42.6 pt . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 120.683 0.277 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 59.06 99.3 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.018 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.44 ' O ' ' HA ' ' A' ' 30' ' ' GLU . 10.7 m-20 -90.28 100.92 13.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.249 -179.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.561 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 46.4 mt -85.01 114.73 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.391 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -100.39 130.43 46.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.753 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.1 p -86.04 139.06 17.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.026 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 43.9 t -93.14 113.66 28.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.975 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 67.2 p -116.21 12.05 15.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.009 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -121.83 2.76 10.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.975 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.8 t70 72.18 -63.88 0.41 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.434 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 47.8 t80 63.74 78.11 0.3 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.98 0.419 . . . . 0.0 110.606 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 55.9 tp -106.84 108.11 61.44 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.029 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo -62.56 150.0 89.12 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.373 2.049 . . . . 0.0 112.157 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.8 mt -112.89 96.42 5.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.557 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.83 -159.93 18.08 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.275 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.15 99.44 11.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.813 0.34 . . . . 0.0 110.959 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -94.87 149.3 21.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.024 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -92.43 139.68 30.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.185 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 56.95 26.77 12.2 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.088 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -117.64 161.29 19.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.127 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 16.3 tt -141.59 142.91 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.0 t -75.17 141.92 43.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.905 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.9 mt -140.1 151.94 45.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.929 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -115.43 139.94 49.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.846 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -58.91 105.66 0.34 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.955 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 120.53 17.53 4.3 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.657 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -101.31 142.99 31.92 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 120.873 0.368 . . . . 0.0 111.09 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.446 ' HB3' HG21 ' A' ' 4' ' ' ILE . 30.4 m-85 -101.56 136.55 41.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.739 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.46 HG23 ' C ' ' A' ' 43' ' ' ARG . 1.5 p -158.16 122.9 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.561 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 0.6 OUTLIER -84.11 153.26 23.84 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.5 178.676 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.626 HG21 ' HB2' ' A' ' 34' ' ' ALA . 12.3 p -90.75 144.71 8.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.335 -179.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.479 HD11 ' HB2' ' A' ' 43' ' ' ARG . 70.9 mt -92.17 -79.35 0.39 Allowed 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.89 -179.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -80.64 -75.53 0.27 Allowed 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.237 -178.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.626 ' HB2' HG21 ' A' ' 31' ' ' VAL . . . 68.27 111.01 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.935 -179.146 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -159.37 -64.58 0.08 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.195 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -61.59 118.29 36.18 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -53.4 -27.33 39.12 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.625 2.216 . . . . 0.0 112.659 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.473 HD12 ' H ' ' A' ' 38' ' ' LEU . 6.3 mp -65.24 -57.15 9.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.085 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.6 ptt180 -144.11 146.71 32.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.083 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 46.1 m0 -112.55 151.54 29.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.023 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 62.2 tp -82.43 98.95 9.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.797 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 29.8 m -104.18 154.23 6.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.92 0.391 . . . . 0.0 111.066 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.479 ' HB2' HD11 ' A' ' 32' ' ' LEU . 62.2 ttt180 -142.15 111.77 6.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.822 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 58.7 p -62.74 124.83 22.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.027 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.0 pttt -67.2 130.74 93.6 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.704 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -67.34 173.8 8.15 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.246 1.964 . . . . 0.0 112.465 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.6 p -102.89 28.41 6.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.033 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.407 ' HB3' ' NZ ' ' A' ' 48' ' ' LYS . 9.4 mtpm? 60.59 18.46 8.4 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.185 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.418 ' H ' ' H ' ' A' ' 50' ' ' SER . 84.1 p -163.22 -2.61 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.003 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.418 ' H ' ' H ' ' A' ' 49' ' ' SER . 49.0 m -128.03 132.88 24.59 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_endo -55.27 126.07 21.27 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.76 2.307 . . . . 0.0 112.296 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.9 p -68.2 155.09 40.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.047 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 65.5 mtm180 -129.58 121.61 27.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.81 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -107.88 127.54 53.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.0 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -152.03 150.79 22.72 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.376 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 44.4 m95 -82.58 128.65 34.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.685 0.279 . . . . 0.0 110.557 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.8 m -131.39 171.63 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 111.318 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.3 m -87.76 115.35 62.71 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.5 -3.07 12.31 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.312 2.008 . . . . 0.0 112.341 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.31 -13.07 62.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.18 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -118.97 15.01 13.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.975 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.3 mp -104.08 157.79 16.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -128.84 123.04 31.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.798 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 50.3 ttp180 -63.98 118.11 7.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.975 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -141.56 125.5 17.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.545 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 59.0 mt -107.12 124.99 50.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.483 ' HB3' ' NZ ' ' A' ' 67' ' ' LYS . 3.0 mmmp? -119.48 -28.19 5.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.478 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.409 ' N ' HD12 ' A' ' 68' ' ' LEU . 6.4 mp . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.323 -0.846 . . . . 0.0 110.744 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 44.6 pt . . . . . 0 N--CA 1.485 1.287 0 CA-C-O 120.734 0.302 . . . . 0.0 111.286 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -64.35 173.26 2.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.796 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -122.45 111.86 17.35 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.91 0.386 . . . . 0.0 111.836 -179.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.606 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 35.0 mt -85.51 113.4 23.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.707 178.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -94.41 142.86 26.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.645 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.4 p -99.72 140.86 18.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 45.4 t -88.94 109.36 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.984 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 58.9 p -116.44 8.19 14.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.296 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -122.54 16.46 10.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.375 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.4 t70 66.8 -73.92 0.07 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.219 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.9 t80 63.72 87.33 0.11 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.059 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.445 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 45.5 tp -117.27 125.48 28.15 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.493 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 12' ' ' LEU . 23.8 Cg_exo -64.11 143.64 84.85 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.27 1.98 . . . . 0.0 112.513 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.6 mt -116.22 96.49 5.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.688 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.67 -137.21 14.08 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.481 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -119.18 98.05 5.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.833 0.349 . . . . 0.0 111.053 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -98.27 140.85 31.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.047 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -99.76 147.23 25.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.046 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 58.24 18.4 5.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.198 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -109.17 152.46 25.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.119 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.5 tt -124.2 133.67 68.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.067 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.9 t -63.38 148.84 47.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.183 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.687 HD11 HG11 ' A' ' 57' ' ' VAL . 86.6 mt -141.68 159.97 41.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.979 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -134.8 140.33 45.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.636 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -54.27 104.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.54 17.78 3.13 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.598 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.463 ' NE2' ' H ' ' A' ' 28' ' ' TYR . 1.0 OUTLIER -101.59 155.2 18.23 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 120.81 0.338 . . . . 0.0 111.171 -179.859 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.463 ' H ' ' NE2' ' A' ' 27' ' ' GLN . 9.3 m-85 -122.38 140.71 52.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.204 179.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.445 HG23 ' C ' ' A' ' 43' ' ' ARG . 2.4 p -157.98 123.09 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.739 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.606 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 13.2 pt-20 -74.42 153.5 39.19 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.76 178.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.603 ' HA ' HG12 ' A' ' 42' ' ' VAL . 12.4 p -95.72 142.92 12.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.402 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.7 mt -100.26 -76.65 0.55 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.732 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -119.15 163.99 16.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.881 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.48 -84.22 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.064 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 58.14 103.24 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.522 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 31.5 m170 64.36 114.66 0.02 OUTLIER Pre-proline 0 CA--C 1.531 0.216 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.326 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.41 ' HA ' ' HE1' ' A' ' 40' ' ' TRP . 71.0 Cg_exo -55.46 -23.79 40.69 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.724 2.283 . . . . 0.0 112.646 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.7 mp -56.88 -56.88 15.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.997 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -137.95 139.88 39.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.41 ' HE1' ' HA ' ' A' ' 37' ' ' PRO . 44.7 m0 -110.38 152.9 25.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.012 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 59.5 tp -79.41 130.45 35.43 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.899 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.603 HG12 ' HA ' ' A' ' 31' ' ' VAL . 30.5 m -142.76 144.81 23.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.4 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.445 ' C ' HG23 ' A' ' 29' ' ' VAL . 15.5 ptm180 -122.05 123.95 42.8 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.557 179.306 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.3 p -66.45 131.52 46.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.346 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -65.43 114.44 15.62 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.577 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.434 ' HG3' ' HB3' ' A' ' 52' ' ' SER . 74.3 Cg_endo -74.68 -177.8 3.63 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.337 2.025 . . . . 0.0 112.655 -179.631 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.4 p -127.29 -160.56 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.552 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -85.31 7.71 21.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.229 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.3 m -158.59 13.35 0.18 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.335 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 52.9 m -121.77 122.18 27.91 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.137 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -62.15 144.95 96.42 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.681 2.254 . . . . 0.0 112.177 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.434 ' HB3' ' HG3' ' A' ' 46' ' ' PRO . 83.3 p -83.26 122.87 28.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.143 -179.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.406 ' HA ' ' NE ' ' A' ' 53' ' ' ARG . 3.7 mmp_? -125.76 132.35 52.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.648 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -119.62 132.55 55.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -148.19 159.18 27.95 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.51 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 54.3 m95 -82.45 128.65 34.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.833 0.349 . . . . 0.0 110.76 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.687 HG11 HD11 ' A' ' 23' ' ' LEU . 24.6 m -128.87 170.44 18.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.254 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.3 m -84.56 110.5 27.66 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.713 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -70.54 -6.76 19.73 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.35 2.033 . . . . 0.0 112.499 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.7 -18.06 62.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.193 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -111.78 10.42 20.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.2 mp -103.4 145.51 29.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.047 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -117.63 118.72 32.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.78 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 -63.48 115.17 4.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -136.0 129.11 31.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.954 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.554 HD13 ' H ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -131.19 144.56 51.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.804 179.825 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -102.89 3.39 36.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.53 ' HB3' HD23 ' A' ' 66' ' ' LEU . 58.2 tp . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.934 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 50.9 mt . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.784 0.326 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.517 ' HB3' ' HB2' ' A' ' 30' ' ' GLU . 15.9 m-85 -74.47 139.36 43.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.565 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -113.75 114.29 26.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.186 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.623 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 25.1 mt -84.66 120.1 34.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.062 0.458 . . . . 0.0 111.545 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -97.27 156.06 16.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.35 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.3 p -110.33 132.45 58.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.9 0.381 . . . . 0.0 111.154 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.2 t -90.28 118.09 34.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.896 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.6 p -125.83 24.0 7.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.231 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -129.55 17.36 5.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.104 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 64.94 -78.47 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.264 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.3 t80 62.32 86.21 0.11 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.741 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 97.1 mt -117.68 118.45 35.03 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.078 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.86 136.6 71.1 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.487 2.125 . . . . 0.0 112.318 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.567 HD23 ' H ' ' A' ' 14' ' ' LEU . 0.8 OUTLIER -111.78 97.97 7.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.046 179.837 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 109.96 -119.0 5.27 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.61 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -126.36 109.06 11.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.792 0.33 . . . . 0.0 111.187 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.498 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -96.63 144.15 26.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.989 179.881 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -112.37 138.27 49.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.205 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 56.2 18.52 3.32 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.36 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.498 ' HB3' ' HB2' ' A' ' 17' ' ' GLU . . . -113.37 168.39 9.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.191 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.6 tt -135.43 130.98 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.017 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.2 t -61.37 148.41 41.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.6 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.538 HD11 HG11 ' A' ' 57' ' ' VAL . 96.2 mt -144.2 159.47 42.61 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.683 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 24' ' ' ARG . 41.8 mtm180 -132.04 153.81 50.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.981 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -63.83 93.19 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.647 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 127.59 21.63 1.58 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.53 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -101.42 147.04 26.81 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 120.83 0.348 . . . . 0.0 110.999 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -113.81 139.77 48.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.51 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.439 HG23 ' C ' ' A' ' 43' ' ' ARG . 2.9 p -158.73 123.88 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-O 120.999 0.428 . . . . 0.0 112.121 -179.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.623 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 11.3 pt-20 -76.54 153.59 35.3 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.239 179.279 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.607 ' HA ' HG12 ' A' ' 42' ' ' VAL . 14.2 p -91.03 144.85 8.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.63 -179.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.462 HD11 ' HD3' ' A' ' 43' ' ' ARG . 95.3 mt -105.05 -81.98 0.53 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.725 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -70.84 -79.43 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.003 -178.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.592 ' HB2' HG21 ' A' ' 31' ' ' VAL . . . 62.51 18.79 10.72 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.116 -179.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -79.43 -16.16 56.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.0 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 43.7 m80 -95.38 119.12 65.92 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.601 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -53.13 -25.19 28.39 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.643 2.229 . . . . 0.0 113.119 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.0 mt -80.22 -88.87 0.07 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.485 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.54 ' HG2' ' HB3' ' A' ' 56' ' ' TRP . 2.7 ttp180 -100.0 147.97 25.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.93 0.395 . . . . 0.0 111.166 -179.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 54.8 m0 -113.17 139.74 48.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.072 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.4 tp -83.35 136.91 34.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.15 179.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.607 HG12 ' HA ' ' A' ' 31' ' ' VAL . 27.0 m -142.52 159.37 19.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.91 0.386 . . . . 0.0 111.782 -179.565 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.462 ' HD3' HD11 ' A' ' 32' ' ' LEU . 34.3 ptt180 -137.09 123.72 21.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.107 179.059 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.1 p -72.35 149.35 44.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.887 0.375 . . . . 0.0 111.392 -179.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -76.64 124.72 87.82 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.96 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -78.76 -175.86 2.97 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.427 2.085 . . . . 0.0 112.617 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.5 t -169.86 149.2 3.67 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.125 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.0 tttm 57.61 47.07 16.55 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.965 0.412 . . . . 0.0 110.725 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 43.4 t 52.5 71.58 0.46 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 71.2 m -131.01 135.66 27.66 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.917 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -53.79 120.62 8.17 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.75 2.3 . . . . 0.0 112.262 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 77.4 p -69.46 121.33 16.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.963 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -92.12 154.29 18.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.146 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.46 129.11 16.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.755 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -151.2 159.95 28.44 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.587 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.54 ' HB3' ' HG2' ' A' ' 39' ' ' ARG . 90.3 m95 -74.84 135.25 41.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.69 0.281 . . . . 0.0 110.71 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.538 HG11 HD11 ' A' ' 23' ' ' LEU . 34.6 m -135.4 162.39 37.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.378 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 58.5 p -83.44 113.47 46.91 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.69 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.13 -7.99 22.37 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.274 1.982 . . . . 0.0 112.521 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.99 -40.36 87.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.259 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -93.14 13.66 20.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.956 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.8 mp -106.86 143.36 35.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.164 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -124.72 119.43 28.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.534 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.439 ' HD3' ' N ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -55.14 136.92 47.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.002 -179.809 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 -142.91 127.55 18.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.459 ' N ' HD12 ' A' ' 66' ' ' LEU . 4.9 mp -114.14 135.8 53.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.757 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.4 ' NZ ' ' HB3' ' A' ' 67' ' ' LYS . 6.7 mtpm? 60.26 -177.92 0.1 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.111 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.403 ' N ' HD12 ' A' ' 68' ' ' LEU . 7.6 mp . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.162 -0.923 . . . . 0.0 110.825 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 47.6 mm . . . . . 0 N--CA 1.485 1.289 0 CA-C-O 120.847 0.355 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -69.84 -174.43 0.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.805 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -122.12 106.61 11.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.857 0.36 . . . . 0.0 111.58 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.646 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 25.3 mt -84.36 115.11 25.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.371 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -94.52 140.35 29.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.372 179.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -101.58 135.91 35.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.128 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.413 HG21 ' HB3' ' A' ' 23' ' ' LEU . 47.5 t -86.75 111.17 21.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.875 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.424 ' HA ' ' HG3' ' A' ' 25' ' ' GLU . 69.2 p -119.47 17.05 12.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.346 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -127.29 -4.91 6.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.36 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.415 ' HB2' ' HB2' ' A' ' 25' ' ' GLU . 18.4 t70 60.82 97.73 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.013 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -98.23 90.26 4.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.837 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 tt -115.69 104.72 52.66 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.606 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -59.37 150.3 75.8 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.556 2.171 . . . . 0.0 112.437 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.423 ' N ' HD12 ' A' ' 14' ' ' LEU . 5.2 mp -119.82 97.39 5.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 120.08 -115.49 2.99 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.625 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -113.92 125.46 54.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.797 0.332 . . . . 0.0 111.023 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -82.32 136.15 35.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.052 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -111.77 98.9 7.72 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.598 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 56.62 22.3 6.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.047 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -111.31 172.08 7.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.219 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.5 tt -132.94 142.51 42.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 52.3 m -73.36 128.41 35.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.214 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.413 ' HB3' HG21 ' A' ' 7' ' ' VAL . 95.4 mt -129.77 121.9 27.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.761 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.422 ' HD3' ' N ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -91.73 144.24 25.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.809 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.424 ' HG3' ' HA ' ' A' ' 8' ' ' THR . 33.0 tt0 -58.39 105.88 0.33 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.827 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 126.49 11.56 3.68 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.259 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -101.32 151.94 21.29 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 120.873 0.368 . . . . 0.0 110.992 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.415 ' HB2' ' HZ1' ' A' ' 45' ' ' LYS . 39.5 m-85 -116.56 140.25 49.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.422 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 43' ' ' ARG . 2.2 p -159.36 122.65 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.894 0.378 . . . . 0.0 111.961 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.646 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 10.1 pt-20 -76.52 153.0 35.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.859 178.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.706 ' HA ' HG12 ' A' ' 42' ' ' VAL . 11.6 p -89.06 142.72 12.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.244 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.534 HD21 ' HD2' ' A' ' 43' ' ' ARG . 75.6 mt -98.57 -60.27 1.58 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.227 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -71.65 -75.17 0.13 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.396 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.34 91.05 0.06 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.014 -179.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -160.67 -64.05 0.06 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.213 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 57.5 m80 -92.67 113.4 59.46 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.006 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -48.86 -24.19 6.81 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 122.668 2.245 . . . . 0.0 112.767 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -52.63 -65.93 0.47 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.203 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -148.43 133.99 18.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.117 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 26.4 m0 -116.84 147.28 42.27 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.449 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 49.2 tp -86.41 120.29 27.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.194 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.706 HG12 ' HA ' ' A' ' 31' ' ' VAL . 14.6 m -135.71 150.84 28.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.658 -179.148 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.534 ' HD2' HD21 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -133.44 130.09 38.17 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.185 179.071 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.432 HG22 ' HB ' ' A' ' 29' ' ' VAL . 28.6 p -74.72 160.85 30.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.293 -179.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.415 ' HZ1' ' HB2' ' A' ' 28' ' ' TYR . 32.7 mtmm -73.01 133.42 81.8 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.063 -179.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -78.06 156.64 30.26 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.588 2.192 . . . . 0.0 112.684 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 30.3 p -96.89 -154.48 0.45 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.74 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -80.73 -3.19 49.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.491 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 79.4 p -155.78 -10.74 0.11 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.699 -0.228 . . . . 0.0 111.522 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.5 m -92.25 115.3 64.48 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.01 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -64.34 159.25 44.69 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.602 2.201 . . . . 0.0 112.286 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.9 m -76.0 123.92 26.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.063 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 88.2 mtt180 -111.63 136.56 50.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -119.82 129.93 54.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -147.38 143.08 10.84 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.553 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 40.1 m95 -76.85 119.5 20.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.771 0.319 . . . . 0.0 110.877 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 31.6 m -128.13 169.41 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 53.9 m -84.5 112.46 42.16 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.809 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.457 ' HA ' HD22 ' A' ' 62' ' ' LEU . 61.7 Cg_endo -72.62 -1.15 9.89 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.284 1.989 . . . . 0.0 112.466 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.77 -29.72 70.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.102 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -98.24 13.64 30.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.633 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.457 HD22 ' HA ' ' A' ' 59' ' ' PRO . 5.7 mp -105.86 165.68 11.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.114 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -121.96 140.38 52.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.841 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 51.9 ttp180 -80.39 118.51 22.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.289 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 69.6 mtp180 -136.33 149.53 48.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.571 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 91.7 mt -111.6 144.38 40.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.24 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 66.1 mttm 59.72 179.18 0.09 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.014 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 38.8 tp . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.315 -0.85 . . . . 0.0 110.823 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 65.2 mt . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.786 0.327 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 58.9 -169.21 0.13 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -122.2 110.2 15.43 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.85 0.357 . . . . 0.0 111.606 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.643 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 41.8 mt -84.41 135.52 24.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.281 179.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -120.35 131.94 55.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.538 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.1 p -93.22 141.48 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.171 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.5 t -94.24 123.52 46.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.785 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.409 ' HA ' ' HG3' ' A' ' 25' ' ' GLU . 70.8 p -130.1 14.76 5.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.403 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -122.2 3.09 9.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.289 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.8 t70 52.9 68.98 0.75 Allowed 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.785 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -86.21 95.84 9.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.929 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.495 HD12 ' HD2' ' A' ' 13' ' ' PRO . 47.6 tp -109.29 123.23 37.31 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.788 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.495 ' HD2' HD12 ' A' ' 12' ' ' LEU . 45.0 Cg_exo -58.14 147.24 84.54 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.408 2.072 . . . . 0.0 112.292 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.446 ' N ' HD12 ' A' ' 14' ' ' LEU . 4.6 mp -95.98 96.04 8.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.471 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.38 -175.03 42.3 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.34 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.94 105.65 17.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.819 0.342 . . . . 0.0 111.081 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -110.06 149.0 30.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.782 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -79.71 145.01 33.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.039 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 58.77 23.21 10.93 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.0 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -107.91 162.52 13.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.344 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.9 tt -141.07 140.77 32.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.795 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.0 p -84.58 128.72 34.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.365 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.531 HD11 HG11 ' A' ' 57' ' ' VAL . 32.7 mt -109.91 163.99 13.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.993 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -134.08 133.28 40.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.721 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.409 ' HG3' ' HA ' ' A' ' 8' ' ' THR . 36.7 tt0 -61.72 101.12 0.17 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.744 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.82 11.17 4.51 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.344 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -101.37 162.01 13.21 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 120.889 0.376 . . . . 0.0 111.206 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.445 ' HB3' HG21 ' A' ' 4' ' ' ILE . 66.0 m-85 -123.6 141.42 52.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.619 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.408 HG22 ' HB ' ' A' ' 42' ' ' VAL . 2.6 p -159.27 123.79 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.041 0.448 . . . . 0.0 112.178 -179.641 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.643 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 9.9 pt-20 -76.56 153.44 35.38 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.722 178.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.598 HG21 ' HB2' ' A' ' 34' ' ' ALA . 13.7 p -90.13 144.33 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.107 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.3 mt -105.2 -72.92 0.69 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.961 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.585 ' HB3' ' HB3' ' A' ' 41' ' ' LEU . 18.2 t70 -83.47 -79.57 0.2 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.917 -178.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.598 ' HB2' HG21 ' A' ' 31' ' ' VAL . . . 62.3 102.35 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.708 -179.112 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -125.25 -62.6 1.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.351 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.439 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 45.7 m-70 -96.09 139.95 22.02 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 -179.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 36' ' ' HIS . 50.7 Cg_exo -58.17 -21.06 49.56 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.842 2.361 . . . . 0.0 112.529 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -58.16 -55.84 29.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.774 -179.898 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.2 ptt180 -144.6 139.95 28.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.965 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 36.8 m0 -113.91 139.62 49.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.725 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.585 ' HB3' ' HB3' ' A' ' 33' ' ' ASP . 57.2 tp -84.74 126.83 33.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.468 179.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.563 HG12 ' HA ' ' A' ' 31' ' ' VAL . 22.6 m -136.28 164.52 31.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.993 0.425 . . . . 0.0 111.573 -179.662 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -141.98 112.03 6.88 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.267 179.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.3 p -57.89 150.07 21.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.007 0.432 . . . . 0.0 111.65 -179.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? -74.58 136.37 74.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.9 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -81.92 115.11 2.67 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.537 2.158 . . . . 0.0 112.446 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 60.8 p -68.66 99.16 0.97 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.991 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt 64.41 -78.66 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.488 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 63.9 m -133.71 28.74 3.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.827 0.346 . . . . 0.0 111.292 -179.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 32.6 t -84.43 133.99 43.58 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.21 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -55.59 114.86 2.08 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.77 2.313 . . . . 0.0 112.169 179.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.9 t -74.58 129.56 37.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.988 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 -110.57 137.4 48.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.054 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.536 ' HG2' HD11 ' A' ' 41' ' ' LEU . 17.0 tt0 -118.99 126.33 51.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.507 179.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -152.56 163.45 30.34 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.889 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 71.7 m95 -86.08 136.79 33.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.636 0.255 . . . . 0.0 110.409 179.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.531 HG11 HD11 ' A' ' 23' ' ' LEU . 29.4 m -137.67 172.32 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.868 0.366 . . . . 0.0 111.578 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.5 p -92.93 122.53 63.55 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.757 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.78 -10.39 19.95 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.402 2.068 . . . . 0.0 112.71 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.07 -27.04 68.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.333 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -106.32 17.11 23.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.1 mp -111.12 138.65 47.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.11 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -106.71 127.29 53.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.735 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 30.8 ttm180 -62.77 120.5 11.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -139.09 115.31 10.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.662 ' H ' HD23 ' A' ' 66' ' ' LEU . 1.6 pt? -109.4 140.98 42.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -104.07 -176.65 3.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.928 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 58.8 mt . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.69 179.86 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 74.7 mt . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.813 0.34 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.505 ' HB3' ' HB2' ' A' ' 30' ' ' GLU . 32.7 m-85 -69.58 159.78 32.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.688 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -122.28 111.03 16.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.28 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.614 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 35.8 mt -84.64 112.71 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.098 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -94.99 145.2 25.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.007 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.2 p -110.71 135.34 50.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.119 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.0 t -78.73 116.72 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.93 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.412 ' HA ' ' HG3' ' A' ' 25' ' ' GLU . 76.7 p -120.79 14.24 11.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.206 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -132.82 3.73 3.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.115 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.7 t70 56.33 90.44 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -89.34 93.24 9.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.948 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tt -104.87 107.15 57.81 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.507 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -58.32 124.22 15.37 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.359 2.039 . . . . 0.0 112.413 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 80.3 mt -77.33 95.23 4.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.907 0.384 . . . . 0.0 110.213 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 100.1 -166.22 19.97 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.837 -0.696 . . . . 0.0 112.442 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.41 104.03 13.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.723 0.297 . . . . 0.0 110.982 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -105.11 144.79 31.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.001 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -72.43 146.02 47.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.952 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 60.42 14.15 4.56 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.203 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -103.43 153.2 20.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.168 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.4 tt -130.29 142.88 42.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.948 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 82.1 p -86.57 135.46 33.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.192 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.6 mt -128.65 158.73 37.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.408 ' HD3' ' N ' ' A' ' 24' ' ' ARG . 0.2 OUTLIER -126.16 144.91 50.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.734 179.815 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.412 ' HG3' ' HA ' ' A' ' 8' ' ' THR . 36.3 tt0 -61.65 106.21 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 126.6 12.88 3.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.47 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -101.3 167.54 10.12 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 120.779 0.323 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -129.96 137.34 50.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.838 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.7 p -159.79 123.52 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.79 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.614 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 10.9 pt-20 -76.29 153.61 35.78 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.226 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.644 ' HA ' HG12 ' A' ' 42' ' ' VAL . 10.2 p -90.5 143.91 10.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.4 HD11 ' HD3' ' A' ' 43' ' ' ARG . 71.7 mt -102.12 -78.75 0.53 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.997 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -100.58 132.18 46.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.96 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -131.56 123.85 28.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.072 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -153.4 -60.09 0.14 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.089 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -91.73 119.9 68.27 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -53.81 -24.01 29.2 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.704 2.27 . . . . 0.0 112.57 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.2 -62.78 1.52 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.285 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -142.8 143.48 32.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.877 0.37 . . . . 0.0 111.389 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 40.0 m0 -121.27 151.62 39.82 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.893 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 67.4 tp -82.87 118.08 23.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.47 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.644 HG12 ' HA ' ' A' ' 31' ' ' VAL . 22.6 m -133.28 148.96 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 0.0 111.483 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.4 ' HD3' HD11 ' A' ' 32' ' ' LEU . 34.7 ptt180 -131.14 123.61 28.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.995 0.426 . . . . 0.0 110.271 179.395 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.4 p -70.55 148.55 48.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.338 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.481 ' HB3' ' NZ ' ' A' ' 45' ' ' LYS . 7.3 mtpm? -67.37 114.52 19.45 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.429 ' HG3' ' HB3' ' A' ' 52' ' ' SER . 49.1 Cg_endo -68.66 158.32 58.23 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.382 2.054 . . . . 0.0 112.16 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.1 p -112.86 -170.43 1.67 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.07 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.452 ' NZ ' ' HB2' ' A' ' 48' ' ' LYS . 9.6 mtmp? -75.98 2.93 11.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.055 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 79.5 p -145.21 -4.76 0.7 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.201 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 58.3 m -116.57 118.42 37.1 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.12 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -64.15 159.3 43.71 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.627 2.218 . . . . 0.0 112.093 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.429 ' HB3' ' HG3' ' A' ' 46' ' ' PRO . 86.3 p -75.69 118.62 18.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -118.37 156.66 28.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.633 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -144.87 134.66 23.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.997 0.427 . . . . 0.0 111.324 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -149.52 152.2 24.2 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.058 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 55.6 m95 -73.92 131.85 41.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.841 0.353 . . . . 0.0 110.98 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.0 m -127.56 167.57 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.096 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 63.1 m -98.69 114.09 65.03 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.813 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -68.98 -7.11 19.91 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.327 2.018 . . . . 0.0 112.494 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.86 -4.72 42.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.221 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -124.9 1.55 8.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.738 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.6 mp -110.14 147.3 33.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.206 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -105.08 146.33 29.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.77 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 49.3 ttp180 -79.52 120.95 24.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.16 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 60.7 ttt180 -140.9 111.92 7.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.026 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.543 HD13 ' H ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -131.27 144.65 51.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.726 179.65 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -65.0 120.35 12.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.072 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.472 ' N ' HD12 ' A' ' 68' ' ' LEU . 5.4 mp . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.351 -0.833 . . . . 0.0 110.815 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 74.9 mt . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.843 0.354 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.477 ' HB3' ' HB2' ' A' ' 30' ' ' GLU . 39.4 m-85 -95.63 156.54 16.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.679 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -121.83 113.02 19.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.395 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.61 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 52.1 mt -84.37 110.96 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.787 179.621 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -94.62 144.6 25.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.702 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -104.3 139.17 26.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.258 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 62.3 t -93.41 110.47 23.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.067 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.1 p -117.61 21.37 13.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.059 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -121.8 8.36 9.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.134 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.4 t70 53.65 67.84 0.94 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.723 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -79.64 95.45 5.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.769 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 65.2 tp -113.38 113.78 48.27 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -58.57 150.25 70.42 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.484 2.123 . . . . 0.0 112.516 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.01 95.05 10.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.18 0.514 . . . . 0.0 110.652 179.261 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.87 -122.07 18.43 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.541 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -103.49 108.84 20.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.708 0.289 . . . . 0.0 110.997 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -116.61 121.89 43.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.812 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -66.32 147.56 53.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.023 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 58.12 23.34 10.03 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.13 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -121.18 155.03 35.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.169 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.8 tt -127.63 138.22 55.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.6 t -58.4 135.6 57.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.98 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.9 mt -144.77 156.32 43.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.212 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.4 mtm180 -140.31 154.76 46.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.856 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -63.48 97.33 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.651 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 129.24 19.74 1.51 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.388 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -101.52 147.4 26.43 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 120.751 0.31 . . . . 0.0 110.826 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -117.98 137.63 52.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.686 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.468 HG22 ' HB ' ' A' ' 42' ' ' VAL . 3.1 p -159.2 124.4 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 112.038 -179.296 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.61 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 11.4 pt-20 -74.31 153.52 39.31 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.861 178.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.512 ' HA ' HG12 ' A' ' 42' ' ' VAL . 13.4 p -96.17 135.17 31.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.291 -179.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 80.6 mt -91.38 -67.36 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.842 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -105.68 145.36 31.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.023 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -110.8 16.87 21.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.034 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.06 130.59 47.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.303 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 61.23 104.6 0.03 OUTLIER Pre-proline 0 CA--C 1.532 0.274 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.953 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -54.22 -23.27 29.08 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.737 2.291 . . . . 0.0 112.926 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 56.4 tp -55.24 -55.54 30.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.046 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -139.48 125.97 20.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.973 0.416 . . . . 0.0 111.04 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 44.3 m0 -102.85 144.21 31.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.171 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 64.4 tp -80.27 133.35 35.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.105 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.512 HG12 ' HA ' ' A' ' 31' ' ' VAL . 32.9 m -134.29 161.2 41.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.039 0.447 . . . . 0.0 111.891 -179.323 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.417 ' C ' HG23 ' A' ' 29' ' ' VAL . 35.9 ttp180 -140.44 111.68 7.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.388 179.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.43 ' HA ' HG23 ' A' ' 29' ' ' VAL . 46.8 p -58.21 140.91 52.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.498 -179.309 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -76.42 125.23 87.82 Favored Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.915 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo -78.94 -171.2 1.18 Allowed 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.361 2.041 . . . . 0.0 112.378 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 47.3 p -130.71 34.49 4.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.864 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.3 tptm 65.79 4.88 3.1 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.833 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 44.3 t -148.67 -22.16 0.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.036 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 47.5 t -92.07 124.33 60.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.031 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.17 123.52 13.84 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.573 2.182 . . . . 0.0 112.242 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 83.3 p -71.14 150.01 45.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -132.43 147.23 52.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.148 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -123.65 129.37 51.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.787 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -151.14 155.14 25.98 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.477 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 55.9 m95 -88.62 121.66 31.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.675 0.274 . . . . 0.0 110.722 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.3 t -123.95 157.75 30.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.166 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.461 ' O ' HD13 ' A' ' 62' ' ' LEU . 51.8 m -79.47 119.97 78.74 Favored Pre-proline 0 CA--C 1.53 0.209 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.773 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -70.16 -15.6 35.64 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.504 2.136 . . . . 0.0 112.203 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.81 -41.67 82.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.985 -179.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -96.47 16.33 18.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.583 -179.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.461 HD13 ' O ' ' A' ' 58' ' ' SER . 6.5 mp -104.65 153.59 21.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.061 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -126.9 121.05 30.68 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.846 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.594 ' HD3' ' H ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -57.36 142.62 42.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -139.19 114.86 9.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 pp -87.0 144.46 26.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.061 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -126.07 139.01 53.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.124 -0.941 . . . . 0.0 110.773 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 37.5 pt . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.74 0.305 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 56.38 93.21 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.114 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.461 ' O ' ' HA ' ' A' ' 30' ' ' GLU . 10.2 m-20 -91.54 111.65 23.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.008 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.575 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 42.5 mt -84.19 116.58 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.332 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -94.53 144.09 25.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.507 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -104.89 125.93 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.987 0.422 . . . . 0.0 111.027 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.538 ' HB ' ' H ' ' A' ' 26' ' ' GLY . 61.8 t -78.02 124.67 36.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.65 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 60.9 p -117.96 21.11 13.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.297 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.46 ' O ' ' HB2' ' A' ' 10' ' ' ASP . . . -127.93 -71.83 0.64 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.342 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.46 ' HB2' ' O ' ' A' ' 9' ' ' ALA . 18.2 t70 165.74 -64.5 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.217 -179.305 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 38.7 t80 59.92 79.21 0.24 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.322 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.428 HD12 HG23 ' A' ' 22' ' ' THR . 45.0 tp -118.02 123.81 29.23 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.591 179.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.412 ' HD2' HD12 ' A' ' 12' ' ' LEU . 31.7 Cg_exo -59.38 127.26 23.25 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 122.155 1.903 . . . . 0.0 112.23 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.3 mt -96.77 96.6 8.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.608 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.26 -154.14 16.67 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.253 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -103.03 97.92 7.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.794 0.33 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -125.28 108.17 11.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.414 ' O ' ' HB3' ' A' ' 19' ' ' ASP . 15.9 mm100 -94.98 97.13 9.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.653 179.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.414 ' HB3' ' O ' ' A' ' 18' ' ' GLN . 4.8 p-10 170.18 -35.22 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.031 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -96.7 162.18 13.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.004 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 10.4 tt -110.82 125.1 68.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.428 HG23 HD12 ' A' ' 12' ' ' LEU . 37.7 m -61.44 112.26 2.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.179 -179.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 78.4 mt -110.01 166.14 11.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.962 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -128.04 147.95 50.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.595 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -55.29 96.96 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.538 ' H ' ' HB ' ' A' ' 7' ' ' VAL . . . 116.07 31.59 1.86 Allowed Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.873 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -101.71 144.38 30.49 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 120.736 0.303 . . . . 0.0 111.174 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -103.54 131.04 51.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.615 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.5 HG22 ' HB ' ' A' ' 42' ' ' VAL . 2.6 p -159.51 124.1 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.515 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.575 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 1.4 pm0 -79.95 153.29 29.04 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.283 179.447 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.67 ' HA ' HG12 ' A' ' 42' ' ' VAL . 14.9 p -86.73 144.39 9.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.259 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 82.0 mt -104.86 -68.23 0.87 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.179 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -57.9 -74.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.413 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 58.75 78.92 0.23 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -169.7 -36.75 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.169 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -86.4 112.19 44.46 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.933 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_exo -55.36 -25.07 46.01 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.475 2.117 . . . . 0.0 112.571 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 66.3 mt -67.76 -72.17 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.428 ' HD3' ' HB3' ' A' ' 56' ' ' TRP . 17.7 ptp180 -141.81 148.98 39.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.812 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 20.2 m0 -115.67 146.47 41.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.419 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 23.9 tp -84.29 117.23 23.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.23 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.67 HG12 ' HA ' ' A' ' 31' ' ' VAL . 16.0 m -124.52 151.94 30.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.582 -179.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.435 ' C ' HG23 ' A' ' 29' ' ' VAL . 22.3 ptt180 -132.75 127.83 35.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.462 179.353 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.416 HG22 ' HB ' ' A' ' 29' ' ' VAL . 44.7 p -72.8 154.41 40.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.852 0.358 . . . . 0.0 111.196 -179.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -71.84 140.04 83.42 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.965 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -82.33 126.33 4.81 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.445 2.096 . . . . 0.0 112.392 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.6 t -127.85 139.22 52.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.013 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? 63.67 45.35 4.62 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.792 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.5 t 57.06 27.83 13.96 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.369 179.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 47.6 t -86.14 133.85 40.01 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.149 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -56.58 125.46 19.09 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.877 2.384 . . . . 0.0 112.114 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.7 p -68.67 113.74 6.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.191 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 58.9 mtm180 -91.87 160.7 15.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.684 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -149.65 131.58 15.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.968 0.413 . . . . 0.0 111.12 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -150.62 160.98 28.84 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.503 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.428 ' HB3' ' HD3' ' A' ' 39' ' ' ARG . 75.4 m95 -77.77 134.7 37.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.781 0.324 . . . . 0.0 110.956 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.2 m -132.65 166.2 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.237 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 52.5 m -98.93 113.48 64.6 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.697 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.483 ' HA ' ' HB2' ' A' ' 62' ' ' LEU . 32.9 Cg_endo -64.08 -6.95 12.32 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.351 2.034 . . . . 0.0 112.562 -179.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.61 -15.08 63.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.075 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -124.38 14.41 8.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.483 ' HB2' ' HA ' ' A' ' 59' ' ' PRO . 10.6 mp -113.74 142.99 45.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.092 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -124.09 119.08 28.44 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.804 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 36.1 ptt180 -62.51 139.83 58.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.046 0.451 . . . . 0.0 111.164 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 -144.05 132.95 22.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.852 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.436 ' N ' HD12 ' A' ' 66' ' ' LEU . 6.0 mp -103.81 95.41 6.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.554 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -134.85 125.42 26.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.817 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.506 ' N ' HD23 ' A' ' 68' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.539 -0.743 . . . . 0.0 110.993 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.425 HD11 ' HB2' ' A' ' 68' ' ' LEU . 45.2 pt . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.78 0.324 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.533 ' HB2' ' HB2' ' A' ' 30' ' ' GLU . 57.8 m-85 -120.64 -171.54 2.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.962 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -85.11 102.05 12.94 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.625 -179.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.672 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 17.8 mt -84.64 135.2 25.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.224 179.547 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.413 ' HB2' HD23 ' A' ' 62' ' ' LEU . 64.1 m-85 -110.28 159.7 17.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.575 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.7 p -113.84 131.15 66.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.022 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.646 HG21 ' HG3' ' A' ' 27' ' ' GLN . 2.8 t -77.61 130.7 35.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.5 p -139.55 18.09 2.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.636 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -136.58 -0.9 2.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.692 0.282 . . . . 0.0 111.425 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.1 t70 58.17 92.28 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -93.83 85.93 4.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.016 0.436 . . . . 0.0 110.346 179.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.7 tp -111.46 110.8 55.38 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.774 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -58.58 146.62 90.56 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.177 1.918 . . . . 0.0 112.108 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.625 HD23 ' H ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -95.92 95.66 8.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.115 0.483 . . . . 0.0 110.519 179.628 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.42 -120.23 5.09 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.541 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -110.41 105.38 14.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.761 0.315 . . . . 0.0 111.22 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.408 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 8.9 tp10 -99.37 141.27 32.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.659 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -78.17 123.17 26.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.015 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 54.16 62.57 2.52 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.991 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.408 ' HB3' ' HB3' ' A' ' 17' ' ' GLU . . . -142.27 167.6 21.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.214 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 12.3 tt -136.32 133.2 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.878 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 65.5 m -67.98 130.09 41.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.459 HD22 ' NE2' ' A' ' 27' ' ' GLN . 23.7 mt -134.77 169.24 17.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.268 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.9 mtp180 -134.6 145.76 48.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.952 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -66.69 106.04 1.72 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.557 ' H ' ' HB ' ' A' ' 7' ' ' VAL . . . 129.38 8.75 3.5 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.901 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.646 ' HG3' HG21 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -103.74 166.75 10.23 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.958 0.408 . . . . 0.0 111.065 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.431 ' HB3' ' CG2' ' A' ' 4' ' ' ILE . 24.4 m-85 -120.76 143.2 48.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.662 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.427 HG22 ' HB ' ' A' ' 42' ' ' VAL . 2.7 p -155.87 123.26 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-O 121.005 0.431 . . . . 0.0 111.844 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.672 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 11.9 pt-20 -77.29 153.76 33.59 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.37 179.292 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.646 ' HA ' HG12 ' A' ' 42' ' ' VAL . 13.9 p -94.38 144.35 9.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.045 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.421 HD21 ' HG2' ' A' ' 43' ' ' ARG . 66.9 mt -102.2 -81.4 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.317 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.473 ' OD2' ' HB3' ' A' ' 35' ' ' ALA . 29.2 t0 -62.02 -53.39 56.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.321 -179.454 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 60.73 23.25 13.15 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.612 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.473 ' HB3' ' OD2' ' A' ' 33' ' ' ASP . . . -99.57 156.09 17.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.149 179.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 64.9 108.96 0.03 OUTLIER Pre-proline 0 CA--C 1.531 0.243 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.991 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -52.59 -24.73 23.47 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 122.851 2.367 . . . . 0.0 112.858 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 50.4 tp -54.24 -71.14 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.977 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -140.24 143.58 36.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.791 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 35.2 m0 -110.44 142.95 41.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.488 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 42.4 tp -80.22 123.79 28.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.773 178.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.646 HG12 ' HA ' ' A' ' 31' ' ' VAL . 16.8 m -134.67 155.18 38.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.548 ' HB3' ' HB3' ' A' ' 54' ' ' GLN . 6.6 ptp180 -130.18 121.86 27.05 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.197 178.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.2 p -65.44 146.58 54.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.948 0.404 . . . . 0.0 111.323 -179.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -71.88 126.07 91.46 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.125 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -75.39 -168.61 0.55 Allowed 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.258 1.972 . . . . 0.0 112.11 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 32.8 p -107.67 -75.37 0.63 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.134 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.429 ' H ' ' H ' ' A' ' 49' ' ' SER . 26.2 ttpp -170.15 -11.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.056 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.429 ' H ' ' H ' ' A' ' 48' ' ' LYS . 60.2 m -143.29 -7.09 0.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.823 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 41.7 t -96.17 125.47 47.91 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -60.7 127.74 23.54 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.744 2.296 . . . . 0.0 112.184 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.3 p -71.31 134.84 47.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.055 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 31.4 mmm180 -109.81 158.63 17.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.803 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.548 ' HB3' ' HB3' ' A' ' 43' ' ' ARG . 12.3 pt20 -140.83 131.16 25.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.048 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -149.44 158.88 27.84 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.543 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 36.7 m95 -79.97 120.16 23.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.802 0.335 . . . . 0.0 110.67 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.7 m -119.17 171.84 6.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.299 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.7 m -93.18 108.18 30.95 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.787 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.2 -1.89 9.58 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.376 2.051 . . . . 0.0 112.344 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.47 -13.75 62.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.202 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -117.59 -0.68 11.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.058 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.413 HD23 ' HB2' ' A' ' 5' ' ' TYR . 6.0 mp -102.3 141.37 35.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.226 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -104.87 133.09 50.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.793 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -74.55 115.03 13.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.037 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 27.8 mmm180 -138.29 115.89 11.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.785 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 68.4 tp -130.39 121.45 25.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.041 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -70.86 -28.67 64.75 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.752 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.425 ' HB2' HD11 ' A' ' 1' ' ' ILE . 6.5 tt . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.642 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 32.6 pt . . . . . 0 N--CA 1.485 1.276 0 CA-C-O 120.799 0.333 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.521 ' HB3' ' HB2' ' A' ' 30' ' ' GLU . 3.5 m-85 -130.19 138.17 50.45 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -104.39 106.59 17.14 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.23 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.653 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 63.6 mt -83.96 116.63 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.089 0.471 . . . . 0.0 111.55 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -97.35 126.91 42.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.619 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -91.26 136.03 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.001 0.429 . . . . 0.0 111.352 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 48.6 t -86.93 125.03 40.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.709 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.438 ' HA ' ' HG3' ' A' ' 25' ' ' GLU . 71.8 p -136.71 18.55 3.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.364 -179.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -125.09 8.37 7.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.289 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.43 ' HA ' ' HB2' ' A' ' 25' ' ' GLU . 19.6 t70 56.38 90.24 0.04 OUTLIER 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.786 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.404 ' C ' HD12 ' A' ' 12' ' ' LEU . 50.6 t80 -105.58 92.7 4.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.412 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 10.4 mp -117.39 133.46 23.22 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 12' ' ' LEU . 36.8 Cg_exo -61.04 134.99 56.11 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.369 2.046 . . . . 0.0 112.266 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.526 ' O ' HD12 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -97.55 96.37 8.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.08 0.467 . . . . 0.0 110.856 179.466 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.13 -107.31 2.68 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.381 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -123.22 102.23 7.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.753 0.311 . . . . 0.0 111.165 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -105.9 153.51 21.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.644 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.0 mp0 -88.78 140.18 29.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.349 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 40.27 39.58 0.69 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.85 179.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -110.25 132.28 54.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.898 0.38 . . . . 0.0 111.197 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.446 ' HB ' ' HA3' ' A' ' 55' ' ' GLY . 14.0 tt -102.47 142.75 16.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.008 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 82.1 p -68.31 112.6 5.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.8 mt -123.84 148.63 46.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.017 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -119.65 147.07 44.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.701 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.438 ' HG3' ' HA ' ' A' ' 8' ' ' THR . 41.8 tt0 -63.03 104.09 0.53 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.057 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 126.67 17.15 2.38 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.411 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -101.22 168.01 9.84 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 120.843 0.354 . . . . 0.0 111.209 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.448 ' HB3' HG21 ' A' ' 4' ' ' ILE . 44.8 m-85 -130.43 138.76 50.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.844 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.445 ' N ' HG23 ' A' ' 4' ' ' ILE . 3.3 p -159.18 123.71 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-O 120.939 0.4 . . . . 0.0 112.029 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.653 ' HA ' ' HA ' ' A' ' 4' ' ' ILE . 12.0 pt-20 -74.6 153.9 38.8 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.272 179.166 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.697 ' HA ' HG12 ' A' ' 42' ' ' VAL . 13.6 p -92.47 144.93 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.095 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.432 HD11 ' HG2' ' A' ' 43' ' ' ARG . 47.1 mt -108.55 -79.25 0.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.77 -179.298 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -64.38 -72.54 0.14 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.89 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.421 ' HB2' HG21 ' A' ' 31' ' ' VAL . . . 63.19 92.74 0.06 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.376 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -150.65 -73.13 0.16 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.305 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -61.84 116.44 21.18 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.677 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -50.05 -27.24 16.32 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.815 2.344 . . . . 0.0 112.907 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 45.1 tp -61.16 -62.13 2.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.258 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -145.68 153.79 41.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.981 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 39.8 m0 -120.68 149.43 42.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.3 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 36.0 tp -80.77 118.84 22.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.364 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.697 HG12 ' HA ' ' A' ' 31' ' ' VAL . 9.8 m -135.49 143.07 37.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.53 -179.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.447 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 4.5 ptp180 -118.45 125.34 49.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.187 179.362 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 57.5 p -67.45 135.08 52.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.866 0.365 . . . . 0.0 111.114 -179.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -62.89 140.18 97.41 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.75 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -88.74 119.6 1.07 Allowed 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 122.715 2.276 . . . . 0.0 112.448 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.7 t -93.85 136.37 34.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.916 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.3 tptp 62.63 -81.6 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.124 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 52.1 m -156.38 26.81 0.35 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.928 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 77.6 p -80.57 133.63 55.71 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.95 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -54.67 139.35 76.7 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.887 2.391 . . . . 0.0 112.207 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.3 p -93.48 132.97 37.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.097 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -126.21 156.61 39.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.844 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -127.79 128.75 45.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.273 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.446 ' HA3' ' HB ' ' A' ' 21' ' ' ILE . . . -140.68 145.32 16.0 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 121.032 -0.604 . . . . 0.0 112.238 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 61.5 m95 -75.15 118.22 17.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.772 0.32 . . . . 0.0 110.796 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.513 HG12 ' H ' ' A' ' 58' ' ' SER . 1.9 t -112.38 168.94 4.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -179.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.513 ' H ' HG12 ' A' ' 57' ' ' VAL . 49.9 m -96.91 104.25 17.91 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.736 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 58' ' ' SER . 29.3 Cg_endo -63.86 -7.62 13.63 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.392 2.061 . . . . 0.0 112.538 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.37 -1.9 25.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.997 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -132.24 13.7 4.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.981 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.443 ' HA ' HD13 ' A' ' 62' ' ' LEU . 2.3 mm? -100.85 179.36 4.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.154 0.502 . . . . 0.0 111.661 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -145.66 144.51 30.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.236 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -70.89 125.67 27.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.974 0.416 . . . . 0.0 111.196 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -141.23 114.96 9.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.377 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.458 HD13 ' N ' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -105.32 131.44 52.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.207 -179.52 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.458 ' N ' HD13 ' A' ' 66' ' ' LEU . 5.1 mptp? -101.25 78.51 1.9 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.635 179.452 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 48.5 tp . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.274 -0.869 . . . . 0.0 110.791 -179.881 . . . . . . . . 0 0 . 1 stop_ save_