data_2mup_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 2mup _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.824 0.345 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.36 128.2 53.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 4.0 m -132.69 147.73 52.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -71.33 80.1 0.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.5 p -113.17 130.53 56.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 14.4 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.97 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 57.6 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.894 0.378 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 37.6 m -127.6 144.02 51.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.127 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.56 121.87 32.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 88.5 m -80.69 178.36 8.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.439 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.1 OUTLIER -73.44 161.45 78.97 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.603 0.716 . . . . 0.0 110.895 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.439 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.7 Cg_endo -69.7 -29.67 23.75 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.751 2.301 . . . . 0.0 112.388 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -75.81 -30.58 59.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -77.37 148.1 35.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 8.6 p -145.05 14.46 1.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -146.83 135.89 22.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.081 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 34.9 m -89.92 158.9 17.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.2 ttp -133.47 143.38 48.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.5 m -136.67 124.15 22.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.962 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.84 0.352 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 2.4 p -144.53 155.28 43.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 18.1 m -69.28 153.61 43.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 48.0 t -150.52 165.25 33.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.833 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 3.8 p -121.16 13.64 11.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.83 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.8 p -166.33 90.32 0.42 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 4.7 mp . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.806 0.336 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -89.19 109.78 20.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.848 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 5.9 p -123.3 159.66 28.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 1.8 p -149.72 -176.11 5.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -131.65 30.31 4.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -140.66 140.05 34.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -56.37 124.79 19.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 9.9 mt 52.69 39.19 28.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 9.1 p . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.859 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.873 0.368 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -113.67 129.25 56.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 0.667 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 8.3 m -133.44 141.16 47.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -69.77 85.99 0.49 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.8 p -118.17 124.53 48.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.121 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 19.4 p . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 61.1 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.936 0.398 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 46.6 m -123.01 145.38 48.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.3 124.48 34.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.667 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 84.2 m -79.99 -177.47 6.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.518 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 4.8 mttt -84.18 161.67 54.08 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.537 0.684 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.518 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.3 Cg_endo -69.78 -30.38 22.3 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.665 2.243 . . . . 0.0 112.356 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -74.3 -27.84 60.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -80.86 154.12 27.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 19.2 p -146.13 15.55 1.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.179 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -150.5 155.91 40.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 60.7 m -106.96 155.8 19.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -130.6 141.1 50.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.3 m -132.62 118.56 19.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.17 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 6.8 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.109 -179.949 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.83 0.347 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 37.1 p -145.21 153.59 41.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 18.7 m -69.26 155.88 39.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 45.9 t -150.04 159.92 44.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 1.8 p -113.48 12.54 18.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.8 p -160.85 87.28 0.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.6 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.851 -179.963 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 3.0 mp . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.915 0.388 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -100.39 113.02 25.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 18.9 p -121.41 161.32 22.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 2.8 p -150.76 -175.55 5.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -132.74 34.19 3.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 2.5 mpp_? -141.61 139.42 33.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.844 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.1 123.28 15.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 15.3 mt 56.2 37.49 28.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 3.2 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 179.906 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.889 0.376 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -118.9 124.23 46.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 8.0 m -128.26 150.35 50.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.855 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -73.3 76.03 1.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.7 p -110.13 131.08 55.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 8.6 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 25.7 mt . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.919 0.39 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 32.1 m -122.16 142.72 50.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -90.24 120.39 31.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 94.6 m -80.47 -176.93 5.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.521 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.1 OUTLIER -79.59 161.75 65.71 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.577 0.703 . . . . 0.0 110.901 179.922 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.521 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.8 Cg_endo -69.77 -29.04 24.47 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.704 2.269 . . . . 0.0 112.35 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -75.99 -26.89 57.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.828 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -82.09 150.1 27.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.2 p -146.66 17.22 1.29 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -149.98 143.44 25.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 11.8 m -97.0 155.11 16.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 5.5 ttp -129.7 139.85 51.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -136.76 133.53 36.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.144 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 52.0 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 19.2 ttt85 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.847 0.356 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 73.2 m -150.21 153.56 36.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.828 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 22.0 m -68.89 147.33 51.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 35.9 t -143.68 162.23 36.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.4 p -120.21 11.39 11.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.8 p -165.17 88.07 0.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.922 -179.978 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 44.8 mm . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.82 0.343 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -89.76 111.82 22.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 5.4 p -126.49 159.72 32.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 1.8 p -149.67 -177.38 5.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.823 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -133.9 32.41 3.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -141.65 139.26 32.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -57.36 121.55 10.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 5.2 mt 59.09 38.02 24.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 8.0 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.91 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.878 0.37 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -111.38 132.16 54.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 0.644 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 38.3 m -131.86 143.95 50.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -74.09 75.73 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 6.8 p -104.35 125.82 50.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.103 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 22.7 p . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.937 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 59.5 mt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.873 0.368 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 53.9 m -127.83 146.07 50.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 -89.17 121.99 32.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.644 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 92.9 m -80.34 -174.57 4.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.525 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.0 OUTLIER -85.78 161.9 49.04 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.577 0.704 . . . . 0.0 110.896 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.525 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.6 Cg_endo -69.82 -30.5 21.91 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.653 2.235 . . . . 0.0 112.335 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -73.95 -27.18 60.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -82.23 152.27 26.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 26.6 p -146.26 15.15 1.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -150.87 148.14 28.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.078 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 34.6 m -100.97 153.73 19.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -127.87 141.93 51.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.4 m -133.87 131.1 38.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.1 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.179 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 28.4 ttt-85 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.838 0.351 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.8 p -140.55 161.6 37.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.859 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 15.2 m -69.66 154.68 41.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 34.9 t -148.69 163.28 37.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.9 p -119.16 10.99 12.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.839 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.2 p -161.84 88.07 0.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.82 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 3.5 mp . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.847 0.355 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -89.53 145.01 25.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.0 p -150.8 162.13 41.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.935 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 3.5 p -149.67 -175.85 5.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -134.84 30.22 3.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -138.88 140.53 38.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -55.66 123.23 13.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 16.4 mt 52.97 40.37 30.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.955 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 14.5 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 179.892 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.903 0.382 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.0 mttp -123.16 122.2 37.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 3.3 m -126.6 152.83 46.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -70.84 81.34 0.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.934 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.0 p -107.87 122.57 47.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.155 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.5 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 74.6 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.926 0.393 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 46.5 m -105.61 144.65 32.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.159 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.28 124.05 34.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 91.5 m -76.87 -176.4 3.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.507 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 9.0 mttt -81.63 161.27 62.07 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.525 0.678 . . . . 0.0 110.908 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.507 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.4 Cg_endo -69.73 -30.97 21.55 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.677 2.251 . . . . 0.0 112.342 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -75.02 -27.04 59.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -84.09 153.85 23.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 24.6 p -146.55 18.07 1.32 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.149 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -150.42 157.82 43.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.097 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 32.2 m -107.52 161.43 14.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.2 ttt -136.12 142.72 44.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 17.6 m -137.17 116.88 13.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 24.6 ttm-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.881 0.372 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 72.7 m -147.5 155.78 42.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 18.2 m -69.26 156.08 39.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 42.4 t -150.19 150.44 31.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -108.1 8.58 28.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.8 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 4.7 p -153.85 82.05 1.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 45.2 mm . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.841 0.353 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -102.12 114.62 28.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 12.7 p -120.6 164.45 16.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 20.2 p -154.78 -168.63 2.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -141.99 23.94 2.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -132.16 140.36 48.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -56.13 127.75 32.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 4.5 mt 51.14 34.44 11.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 26.9 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.93 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.909 0.385 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.7 mtpp -120.1 125.35 48.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 3.8 m -126.19 153.37 44.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.842 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -75.83 75.7 2.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.0 p -110.06 127.43 54.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.109 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 10.7 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.952 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 59.8 mt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.881 0.372 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 39.0 m -124.88 143.66 50.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -90.68 123.28 34.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 84.8 m -80.69 -179.32 7.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.531 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.2 OUTLIER -81.84 162.78 56.4 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.614 0.721 . . . . 0.0 110.902 179.896 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.531 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.7 Cg_endo -69.77 -29.94 23.02 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.639 2.226 . . . . 0.0 112.335 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -72.64 -28.14 62.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -84.54 152.59 23.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 11.0 p -145.57 14.89 1.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -145.46 155.41 43.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.064 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 58.0 m -109.34 155.6 21.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.825 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -129.21 140.27 51.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.8 m -138.87 126.58 22.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 4.8 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 -179.964 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 17.9 ttt85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.825 0.345 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.5 m -150.26 155.58 39.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 12.4 m -69.15 151.46 46.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 39.5 t -149.92 148.69 29.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 7.1 p -100.95 16.4 25.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.9 p -168.52 94.24 0.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.832 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 78.4 mt . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.867 0.365 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -89.72 108.9 19.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 11.6 p -124.14 160.04 28.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 2.9 p -152.16 -175.43 5.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -131.65 23.68 4.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.03 141.83 44.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.23 126.82 27.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.826 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 10.0 mt 51.08 37.6 18.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 31.2 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.938 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.94 0.4 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.17 132.13 56.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 0.418 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 8.7 m -135.36 145.91 47.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -69.82 85.62 0.49 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.7 p -116.7 123.4 47.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.174 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 8.3 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 82.9 mt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.942 0.401 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 47.7 m -128.15 144.85 51.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.8 mtt180 -89.31 124.25 34.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.837 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.418 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 85.6 m -79.41 -179.9 7.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.543 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 4.9 mttm -80.91 162.4 59.96 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.61 0.719 . . . . 0.0 110.893 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.543 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.6 Cg_endo -69.78 -29.64 23.45 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.717 2.278 . . . . 0.0 112.334 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -74.02 -26.91 60.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -84.65 152.7 23.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 28.5 p -147.04 15.58 1.18 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -150.89 143.62 24.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.086 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 46.3 m -91.36 165.72 13.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -142.36 142.05 32.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 2.6 m -131.04 151.57 51.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.811 0.338 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 16.4 p -147.71 155.39 41.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 19.5 m -69.45 156.26 39.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.927 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 33.8 t -150.17 164.42 35.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.9 p -119.35 8.18 11.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.8 p -161.24 87.25 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.905 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 2.5 mp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.827 0.346 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -109.02 107.8 18.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 7.0 p -119.16 164.3 15.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 4.9 p -156.4 -175.58 5.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -131.92 36.06 3.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.813 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -140.69 140.72 34.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.34 122.6 14.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 14.5 mt 57.17 35.11 25.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 1.8 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.895 179.899 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.834 0.349 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 21.0 mtmt -121.55 137.33 54.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 5.9 m -138.0 146.17 42.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -69.69 87.13 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.2 p -119.86 126.84 51.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.156 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 12.6 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 59.8 mt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.888 0.375 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 38.8 m -130.92 146.01 52.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.96 123.06 32.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 89.1 m -78.7 -177.56 5.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.542 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 15.2 mmtt -82.1 161.66 59.53 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.618 0.723 . . . . 0.0 110.899 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.542 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.6 Cg_endo -69.76 -29.34 24.02 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.71 2.273 . . . . 0.0 112.343 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -74.68 -27.7 60.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -81.58 152.91 26.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 17.2 p -146.24 14.87 1.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -150.35 153.51 36.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.129 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 49.5 m -103.8 159.36 15.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 2.5 ttt -135.52 138.9 43.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 2.6 m -130.9 149.21 52.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.125 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.176 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 5.1 ttm105 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.821 0.343 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.1 m -145.58 157.99 43.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.823 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 12.4 m -69.68 152.39 44.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 45.8 t -145.82 148.4 32.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 12.3 p -103.05 13.72 33.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.8 p -170.15 93.07 0.22 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 3.8 mp . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.859 0.361 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -109.99 114.07 27.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.8 p -124.62 157.31 35.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.849 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 3.8 p -149.86 -175.63 5.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -133.3 32.44 3.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -140.96 139.76 34.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.93 126.33 25.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 6.4 mt 50.78 38.41 19.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 6.2 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.916 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.906 0.384 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.71 131.94 56.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 13.4 m -130.49 148.54 52.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -72.88 76.56 1.16 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.6 p -109.54 126.39 53.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.185 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 7.6 p . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 68.0 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.903 0.383 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 40.3 m -117.95 144.05 45.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -88.81 124.23 33.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 96.3 m -80.21 -177.3 6.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.52 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 11.8 mttt -82.1 161.89 58.75 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.547 0.689 . . . . 0.0 110.927 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.52 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.3 Cg_endo -69.78 -30.88 21.49 Favored 'Trans proline' 0 C--N 1.34 0.119 0 C-N-CA 122.695 2.263 . . . . 0.0 112.315 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -73.39 -29.22 62.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -80.16 153.06 28.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 23.0 p -146.76 17.33 1.27 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -150.63 155.94 40.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 84.5 m -104.69 160.53 14.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.3 ttt -137.28 141.24 41.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.4 m -133.94 147.61 51.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.1 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.157 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 8.4 ttm105 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.785 0.326 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 72.1 p -148.34 157.46 43.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 16.2 m -69.75 154.11 42.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 36.5 t -149.61 153.13 36.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.833 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 1.5 p -109.78 6.8 23.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.828 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 4.2 p -157.61 86.29 0.92 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.832 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 44.0 mm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.853 0.358 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -113.02 109.23 18.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 9.6 p -119.46 165.51 14.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 21.1 p -161.76 -169.26 2.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -138.94 32.01 2.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -130.65 141.74 50.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.27 119.55 10.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 13.1 mt 61.99 28.85 17.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 2.8 p . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.913 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.921 0.391 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.75 122.89 42.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 8.5 m -133.29 145.71 50.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -72.58 76.76 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.6 p -111.89 128.35 56.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 11.2 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 57.7 mt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.936 0.398 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 24.3 m -112.49 142.56 44.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 -89.36 122.52 32.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 82.3 m -81.36 -174.82 5.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.533 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.1 OUTLIER -83.11 162.29 54.92 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.587 0.708 . . . . 0.0 110.906 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.533 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.9 Cg_endo -69.71 -29.36 24.22 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.689 2.26 . . . . 0.0 112.357 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -74.94 -26.3 59.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -83.07 149.49 26.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 15.7 p -145.25 15.65 1.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.152 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -150.5 141.68 23.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 60.9 m -91.46 165.13 13.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 5.3 ttp -140.86 144.53 35.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.4 m -136.26 155.14 50.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.126 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 10.0 m . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 12.5 ttt180 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.866 0.365 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.1 m -146.43 157.46 43.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.838 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 16.7 m -69.81 155.97 39.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 37.1 t -150.87 163.17 39.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 3.3 p -120.79 7.27 10.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.5 p -160.51 86.76 0.74 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.824 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 4.2 mp . . . . . 0 N--CA 1.457 -0.122 0 CA-C-O 120.842 0.353 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -103.09 108.48 19.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 9.0 p -122.8 157.54 32.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 3.5 p -149.79 -176.79 5.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -129.66 29.72 4.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -137.26 139.57 41.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.49 124.4 19.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 10.0 mt 54.39 36.64 25.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 2.8 p . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.872 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.899 0.381 . . . . 0.0 110.953 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -119.14 123.04 43.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 33.0 m -118.96 151.53 38.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -76.28 76.82 3.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.952 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.6 p -110.18 123.83 50.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 9.8 p . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.972 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 62.7 mt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.927 0.394 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 48.2 m -109.35 142.68 39.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.166 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.37 119.2 29.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 79.1 m -80.35 175.12 10.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.442 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 8.4 mtmm -69.22 162.26 67.12 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.608 0.718 . . . . 0.0 110.877 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.442 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.8 Cg_endo -69.78 -28.69 24.87 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.681 2.254 . . . . 0.0 112.312 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -78.69 -29.98 45.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -74.46 148.02 41.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 14.3 p -145.9 15.98 1.39 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -151.05 144.17 24.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.111 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 17.1 m -92.21 158.59 16.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 2.0 ttt -134.04 146.52 50.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.7 m -138.25 142.51 39.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.171 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.156 -179.972 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.815 0.34 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.3 m -141.93 156.62 45.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.831 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 32.4 m -68.68 155.29 40.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 47.1 t -150.36 159.51 44.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.3 p -116.54 16.55 15.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.8 p -169.09 91.61 0.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 -179.972 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 5.3 mp . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.831 0.348 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -98.31 147.36 24.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.3 p -151.17 158.77 44.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 28.8 p -150.18 178.71 8.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -131.97 35.25 3.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 9.2 mmt180 -139.07 137.52 36.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.32 120.74 9.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 14.4 mt 61.18 33.07 19.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 11.9 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.908 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.856 0.36 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -114.78 126.83 55.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 7.1 m -131.1 145.5 52.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -71.4 81.19 0.77 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.8 p -113.55 125.51 54.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.118 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 18.1 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 61.2 mt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.923 0.392 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 34.6 m -118.64 143.87 46.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.124 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 17.5 mtt180 -89.5 123.49 33.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 97.7 m -80.65 -178.69 6.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.518 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 1.2 mttt -80.72 161.8 62.59 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.593 0.711 . . . . 0.0 110.854 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.518 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.5 Cg_endo -69.76 -28.96 24.6 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.692 2.261 . . . . 0.0 112.337 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -75.33 -29.29 59.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -80.64 152.35 28.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 15.3 p -146.66 16.54 1.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -149.24 151.53 34.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.141 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 57.0 m -103.29 156.3 17.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.3 ttt -131.95 139.24 48.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 20.3 m -128.2 138.77 52.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.124 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 97.5 m . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.194 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.843 0.354 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 25.4 m -148.27 156.08 42.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 13.2 m -69.39 152.76 44.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 42.3 t -149.02 150.5 32.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 10.3 p -103.71 15.17 29.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.82 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.0 p -166.43 92.51 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.836 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 -179.955 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 5.1 mp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.931 0.396 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -117.59 113.42 21.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 16.2 p -121.76 162.67 20.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 2.7 p -152.86 -175.29 5.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -132.8 33.6 3.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 18.5 mtt180 -141.21 140.19 33.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.83 121.64 12.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 15.1 mt 58.99 36.29 24.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 2.4 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.911 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.907 0.384 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -119.18 124.48 46.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 5.0 m -129.2 147.18 51.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -72.0 80.6 0.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.985 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.5 p -111.44 127.18 55.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.146 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 16.3 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.888 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 60.1 mt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.881 0.372 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 36.9 m -128.63 143.17 50.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.24 123.48 34.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 74.9 m -80.85 177.05 9.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.436 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 12.8 mtmt -69.93 161.91 71.99 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.589 0.709 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.436 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.3 Cg_endo -69.81 -28.94 24.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.342 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -77.83 -28.46 50.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.38 147.87 32.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 14.1 p -143.67 13.08 1.71 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.176 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -140.54 155.36 46.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.089 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 65.5 m -109.26 157.38 18.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.3 ttt -130.74 146.56 52.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 3.2 m -139.32 118.96 13.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.768 0.318 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.1 t -139.4 174.73 10.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.856 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 18.8 m -80.67 155.51 26.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 29.1 t -150.32 143.8 25.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 12.7 p -104.75 13.27 31.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.7 p -163.55 88.24 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.819 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 66.5 mt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.851 0.357 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -93.54 146.99 23.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 9.4 p -150.54 161.3 42.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 2.6 p -153.09 -176.02 5.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.952 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -132.23 33.26 3.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -140.39 139.96 35.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.74 124.04 18.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 11.7 mt 56.34 36.95 28.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 3.2 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 179.92 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.858 0.361 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -119.84 125.84 49.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 3.9 m -128.51 149.46 50.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -72.13 79.34 0.95 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.8 p -115.61 128.59 56.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.169 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 13.5 p . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.993 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 49.6 mt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.88 0.371 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 36.3 m -113.94 143.01 45.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.157 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.86 123.6 33.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 71.2 m -81.04 175.45 10.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.444 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.1 OUTLIER -71.02 161.58 77.33 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.581 0.705 . . . . 0.0 110.906 179.898 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.444 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.1 Cg_endo -69.76 -28.87 24.74 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.704 2.27 . . . . 0.0 112.315 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -76.81 -29.24 55.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -76.43 151.78 36.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 16.5 p -147.04 17.64 1.23 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -150.13 153.85 37.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.131 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 58.2 m -107.16 155.25 20.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.846 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 5.2 ttp -129.01 141.35 51.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 27.7 m -131.86 123.06 26.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 86.6 m . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 -179.968 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.822 0.344 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 54.1 p -149.43 152.61 35.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 27.7 m -69.36 152.6 44.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 47.2 t -150.43 154.18 37.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.2 p -110.95 14.52 22.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.861 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.8 p -162.16 88.61 0.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.885 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 45.4 mm . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.816 0.341 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -89.47 149.42 22.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 7.1 p -150.86 160.42 43.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 3.8 p -150.13 -176.05 5.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -133.45 32.21 3.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.22 139.92 37.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.35 123.57 16.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 9.8 mt 56.35 37.06 28.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 4.2 p . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 179.925 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.905 0.384 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -119.68 126.48 51.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 8.0 m -127.92 152.37 47.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -76.12 67.89 2.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 7.3 p -93.18 121.81 34.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.163 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 10.3 p . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.928 179.975 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 55.5 mt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.873 0.368 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 27.7 m -135.03 145.0 47.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.14 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -88.71 123.44 33.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 96.3 m -81.37 -175.66 5.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.544 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 20.4 mmtt -80.9 161.69 62.53 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.569 0.699 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.544 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.7 Cg_endo -69.76 -28.93 24.65 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.742 2.295 . . . . 0.0 112.336 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -75.79 -29.8 58.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -82.23 151.17 26.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 19.5 p -146.15 15.32 1.33 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -145.96 150.84 36.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 34.8 m -103.35 158.24 16.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -135.68 145.05 46.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -140.66 122.71 15.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 -179.959 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.85 0.357 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -143.31 168.68 19.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.882 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 6.0 m -76.75 152.04 35.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 37.4 t -149.48 143.98 26.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 19.9 p -96.64 15.73 20.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.9 p -168.76 96.26 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 85.3 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.885 0.374 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -97.48 118.42 33.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 9.6 p -131.94 158.86 40.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 2.0 p -151.32 -175.61 5.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -132.84 30.1 4.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 3.1 mpp_? -140.52 140.64 35.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -56.93 124.95 20.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 5.9 mt 53.5 38.0 27.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 13.2 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.844 179.91 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.909 0.385 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -118.69 135.72 54.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.865 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 0.639 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 11.2 m -133.14 142.04 48.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -69.54 85.19 0.43 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.3 p -121.39 130.52 53.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 13.8 p . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.981 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 57.4 mt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.923 0.392 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 41.1 m -120.69 145.66 47.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.84 123.55 33.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.85 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.639 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 92.7 m -77.62 -178.4 5.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.527 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 9.6 mmtt -81.68 161.03 62.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.566 0.698 . . . . 0.0 110.907 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.527 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.7 Cg_endo -69.75 -29.44 23.92 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.72 2.28 . . . . 0.0 112.308 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -76.11 -25.83 55.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.954 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -84.09 154.44 23.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 19.7 p -147.8 17.85 1.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.158 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -150.16 153.52 36.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.094 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 64.7 m -104.1 155.55 18.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.2 ttt -131.4 138.13 48.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.8 m -130.28 120.51 24.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.156 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.804 0.335 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 81.0 p -150.08 152.65 35.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 20.8 m -69.57 154.76 41.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 38.1 t -150.26 157.62 43.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 1.7 p -110.65 9.08 22.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 4.9 p -159.62 88.44 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 85.5 mt . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.87 0.366 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -90.63 110.98 22.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 10.1 p -121.77 160.59 24.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 29.4 p -153.65 -170.37 3.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -138.58 31.81 2.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -134.45 141.4 46.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.819 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.28 123.99 18.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 10.5 mt 53.6 34.15 18.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.944 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 9.5 p . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.914 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.951 0.405 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -117.38 130.43 56.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 0.565 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 3.8 m -130.04 149.67 51.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -74.45 72.46 1.86 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.8 p -102.36 126.88 49.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.151 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 15.5 p . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.985 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 56.9 mt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.951 0.405 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 30.9 m -123.5 145.17 49.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.01 125.4 34.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.565 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 85.2 m -80.13 -179.43 7.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.52 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 2.5 mttt -83.84 162.47 52.44 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.609 0.719 . . . . 0.0 110.887 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.52 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.9 Cg_endo -69.78 -28.89 24.58 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.676 2.251 . . . . 0.0 112.365 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -73.94 -30.73 62.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -81.71 154.61 25.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 23.5 p -146.84 15.53 1.21 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.15 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -148.0 157.44 43.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 83.1 m -110.96 153.94 24.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.841 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -126.42 143.12 51.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 2.5 m -137.87 110.17 7.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.116 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 7.3 ttm105 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.84 0.352 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 5.5 m -136.59 160.35 39.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 13.9 m -69.57 153.02 44.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 44.5 t -149.58 147.85 28.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 4.6 p -98.93 13.25 33.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 4.4 p -161.04 91.6 0.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.923 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 5.6 mt . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 120.865 0.364 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -105.92 104.84 14.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 23.1 p -116.6 170.25 8.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 4.7 p -160.8 -174.93 4.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -133.68 31.89 3.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.01 140.53 36.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.67 125.01 21.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 13.9 mt 54.58 36.79 26.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.951 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 3.6 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.866 0.365 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -119.72 126.39 50.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 9.6 m -131.63 150.06 52.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -69.83 85.09 0.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.3 p -126.46 134.33 50.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.133 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 9.3 p . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.962 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 61.9 mt . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.882 0.373 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 25.0 m -110.56 142.78 41.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.74 122.36 33.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 72.2 m -79.99 178.37 8.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.553 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.4 OUTLIER -77.88 163.11 64.95 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.616 0.722 . . . . 0.0 110.901 179.906 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.553 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 54.0 Cg_endo -69.71 -29.26 24.38 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.688 2.259 . . . . 0.0 112.369 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -76.27 -27.56 56.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -85.56 150.0 24.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 30.3 p -147.42 20.51 1.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -150.24 144.19 25.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 4.9 m -95.31 156.48 16.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -133.24 141.01 47.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 2.7 m -132.71 144.98 50.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.173 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.825 0.345 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 58.7 m -150.3 154.77 38.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 37.3 m -69.03 151.3 46.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.844 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 34.1 t -147.98 164.74 32.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.872 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.5 p -120.94 7.87 10.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.82 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.1 p -156.02 85.5 1.02 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 4.8 mp . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.881 0.372 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -102.05 117.04 33.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 7.8 p -128.6 158.97 37.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 4.9 p -149.23 -176.98 5.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -134.92 33.7 3.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -141.7 139.37 32.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.93 121.69 11.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 7.7 mt 60.81 36.25 19.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 8.7 p . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.899 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.859 0.361 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.2 mtmm -113.46 130.16 56.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.895 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 0.607 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 7.6 m -134.41 141.92 46.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -69.93 89.88 0.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.8 p -125.77 128.77 48.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.134 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 21.5 p . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.979 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 57.3 mt . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.927 0.394 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 44.4 m -123.47 144.6 49.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 -89.33 124.36 34.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.607 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 79.0 m -80.41 -179.38 7.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.51 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 1.1 mttp -83.02 161.67 57.1 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.572 0.701 . . . . 0.0 110.947 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.51 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.7 Cg_endo -69.82 -30.13 22.49 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -74.88 -25.87 59.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -83.27 154.67 24.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 22.7 p -147.37 16.8 1.17 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -150.45 152.91 35.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.104 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 60.4 m -103.27 156.15 17.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 3.3 ttp -132.28 140.88 48.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -131.73 145.93 51.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 64.6 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 13.0 ttt-85 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.855 0.359 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 11.1 p -149.54 152.43 35.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 24.0 m -69.26 156.85 38.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 47.3 t -150.32 161.5 42.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 1.5 p -114.14 14.21 18.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.5 p -163.09 88.97 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.826 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 4.2 t . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 -179.988 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 3.0 mp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.885 0.374 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -111.07 113.85 26.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 21.4 p -122.98 164.6 18.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 4.6 p -155.59 -174.58 5.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -132.63 33.4 3.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 8.8 mtt-85 -141.89 139.96 32.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.06 124.98 21.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 15.0 mt 53.38 37.56 25.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.926 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 4.2 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.916 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.925 0.393 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -120.59 138.48 53.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 0.692 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 6.4 m -136.29 145.55 45.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -72.05 82.01 0.96 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.0 p -112.68 124.06 51.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.139 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 21.4 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 63.5 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.942 0.401 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 54.4 m -132.66 145.08 50.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.145 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 14.4 mtt85 -89.66 124.14 34.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.692 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 72.3 m -76.1 174.71 9.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.466 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.1 OUTLIER -71.92 161.99 75.77 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.53 0.681 . . . . 0.0 110.96 179.893 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.466 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.5 Cg_endo -69.81 -28.42 25.05 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.674 2.249 . . . . 0.0 112.324 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -76.55 -28.98 56.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -77.85 153.95 32.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 22.9 p -146.58 15.29 1.25 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -150.67 154.61 37.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 61.4 m -107.09 159.73 16.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.68 146.07 52.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 4.1 m -139.94 114.38 9.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 99.1 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 -179.965 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 26.0 ttm-85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.822 0.344 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 5.0 m -150.05 150.11 31.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 20.6 m -68.0 153.65 43.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 44.8 t -149.93 149.21 30.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 8.3 p -100.16 14.35 31.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.5 p -166.52 94.0 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.967 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 70.4 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.888 0.375 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -131.19 103.02 6.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 12.2 p -113.51 166.31 11.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 4.6 p -154.74 -175.42 5.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -133.93 38.42 3.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -145.88 139.26 26.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.11 123.57 16.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 15.6 mt 56.13 36.93 28.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 1.9 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.942 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 16.6 tpp . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.735 0.302 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.1 125.14 25.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.946 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.36 128.2 53.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 4.0 m -132.69 147.73 52.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -71.33 80.1 0.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.5 p -113.17 130.53 56.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 14.4 p -82.3 176.21 9.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.76 -45.82 67.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.946 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -150.66 159.41 34.4 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.592 0.71 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 131.8 21.94 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.694 2.262 . . . . 0.0 112.353 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -148.87 162.8 39.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.89 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 17.5 p -77.06 -75.74 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 33.6 p -57.11 -41.82 79.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -53.52 102.1 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.7 m -50.82 -25.32 4.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 49.1 t 62.47 76.67 0.36 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 12.3 mmt-85 -148.02 86.73 1.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.5 m -138.27 136.84 36.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 57.6 mt -67.02 115.94 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.14 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 37.6 m -127.6 144.02 51.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.127 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.56 121.87 32.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 88.5 m -80.69 178.36 8.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.439 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.1 OUTLIER -73.44 161.45 78.97 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.603 0.716 . . . . 0.0 110.895 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.439 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.7 Cg_endo -69.7 -29.67 23.75 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.751 2.301 . . . . 0.0 112.388 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -75.81 -30.58 59.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -77.37 148.1 35.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 8.6 p -145.05 14.46 1.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -146.83 135.89 22.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.081 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 34.9 m -89.92 158.9 17.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.2 ttp -133.47 143.38 48.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.5 m -136.67 124.15 22.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.3 m -89.9 103.39 16.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 7.6 mp -90.34 115.15 27.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 4.2 p -141.47 120.46 10.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 58.5 p -75.4 143.05 42.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 35.8 t -144.29 149.08 17.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.141 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -51.66 140.22 19.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -100.09 25.67 7.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -89.44 160.64 16.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.495 ' HA ' ' C ' ' A' ' 140' ' ' PRO . 5.3 m-85 -62.15 160.56 30.09 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.672 0.749 . . . . 0.0 110.937 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 139' ' ' TYR . 53.7 Cg_endo -69.72 -19.37 11.22 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.302 -0.099 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -52.86 151.53 4.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -93.29 162.8 13.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -73.55 79.67 1.46 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.8 m -154.13 157.43 32.4 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.691 0.758 . . . . 0.0 110.833 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 167.95 22.89 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.677 2.252 . . . . 0.0 112.409 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 15.7 m -150.85 118.47 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.068 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 27.0 m -147.85 170.41 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.089 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 22.0 p -132.02 115.95 16.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 -99.87 133.44 44.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 2.4 p -144.53 155.28 43.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 18.1 m -69.28 153.61 43.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 48.0 t -150.52 165.25 33.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.833 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 3.8 p -121.16 13.64 11.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.83 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.8 p -166.33 90.32 0.42 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.64 120.21 14.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 21.3 t -145.9 123.2 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.167 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -100.16 108.57 20.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.073 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 1.3 m -162.9 127.56 3.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -75.74 154.33 85.27 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.585 0.707 . . . . 0.0 110.876 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -89.39 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.729 2.286 . . . . 0.0 112.326 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -103.17 -30.52 10.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 2.6 t 67.96 10.29 7.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 21.3 mm -101.17 -17.37 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.131 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -156.37 94.6 0.14 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 68.5 89.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 111.077 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -101.24 80.74 2.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.111 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -66.47 119.68 12.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.14 159.15 33.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 4.7 mp -126.33 100.34 6.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.143 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -89.19 109.78 20.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.848 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 5.9 p -123.3 159.66 28.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 1.8 p -149.72 -176.11 5.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -131.65 30.31 4.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -140.66 140.05 34.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -56.37 124.79 19.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 9.9 mt 52.69 39.19 28.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 9.1 p -47.7 -26.51 1.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -138.64 121.81 16.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 9.9 t -103.1 33.07 3.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -139.57 148.89 43.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.786 0.327 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.12 124.98 25.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -113.67 129.25 56.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 0.667 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 8.3 m -133.44 141.16 47.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -69.77 85.99 0.49 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.8 p -118.17 124.53 48.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.121 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 19.4 p -83.89 169.25 15.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.3 mtmp? -100.26 34.4 2.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -140.67 158.44 65.67 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.678 0.751 . . . . 0.0 110.895 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -165.78 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.646 2.231 . . . . 0.0 112.351 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -66.71 -12.56 58.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 7.4 t -48.12 146.41 2.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.12 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.24 118.35 3.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 177.88 136.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.065 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 70.7 p -51.29 102.68 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 14.8 t -98.72 80.47 2.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 46.0 mtp180 -149.47 81.42 1.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 5.4 m -139.05 131.97 29.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 61.1 mt -68.43 115.65 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 46.6 m -123.01 145.38 48.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.3 124.48 34.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.667 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 84.2 m -79.99 -177.47 6.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.518 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 4.8 mttt -84.18 161.67 54.08 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.537 0.684 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.518 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.3 Cg_endo -69.78 -30.38 22.3 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.665 2.243 . . . . 0.0 112.356 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -74.3 -27.84 60.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -80.86 154.12 27.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 19.2 p -146.13 15.55 1.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.179 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -150.5 155.91 40.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 60.7 m -106.96 155.8 19.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -130.6 141.1 50.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.3 m -132.62 118.56 19.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.17 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 6.8 m -99.04 122.06 41.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.109 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 9.9 tt -122.66 127.93 49.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.96 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 7.6 p -158.43 124.44 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 9.8 t -159.72 135.69 8.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 19.3 m -115.19 -31.01 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -144.99 116.58 8.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -97.13 25.2 5.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.095 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -104.18 163.75 12.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.512 ' HA ' ' C ' ' A' ' 140' ' ' PRO . 5.4 p90 -50.96 157.5 1.38 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.68 0.752 . . . . 0.0 110.904 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 139' ' ' TYR . 53.6 Cg_endo -69.83 -22.1 9.89 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.309 0.008 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -52.17 170.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -87.97 174.4 8.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 13.2 tm0? -99.89 -18.05 17.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 6.1 t -70.26 141.85 89.14 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.68 0.752 . . . . 0.0 110.887 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 103.44 1.16 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.692 2.262 . . . . 0.0 112.351 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 10.5 p -89.9 135.31 26.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 11.5 m -149.32 148.29 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 5.9 p -103.84 98.58 8.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.169 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.5 133.5 34.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 37.1 p -145.21 153.59 41.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 18.7 m -69.26 155.88 39.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 45.9 t -150.04 159.92 44.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 1.8 p -113.48 12.54 18.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.8 p -160.85 87.28 0.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.6 t -69.06 105.35 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 9.7 m -150.43 166.33 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.117 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -98.33 111.68 23.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.108 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 10.5 m -154.8 109.59 3.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.402 ' HA ' ' HD2' ' A' ' 160' ' ' PRO . 43.9 t0 -102.35 98.78 11.26 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.572 0.701 . . . . 0.0 110.887 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 159' ' ' ASP . 53.2 Cg_endo -69.8 -8.12 22.8 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.675 2.25 . . . . 0.0 112.327 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.0 -64.72 1.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.4 t 58.32 20.87 7.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 1.9 pp -69.8 -29.48 40.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.082 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -169.29 25.35 0.11 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.496 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 49.53 31.93 4.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.8 0.333 . . . . 0.0 111.106 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -100.24 5.26 44.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.079 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 31.9 m-70 -99.06 84.67 3.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -83.28 109.04 16.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 3.0 mp -93.92 101.15 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.121 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -100.39 113.02 25.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 18.9 p -121.41 161.32 22.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 2.8 p -150.76 -175.55 5.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -132.74 34.19 3.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 2.5 mpp_? -141.61 139.42 33.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.844 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.1 123.28 15.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 15.3 mt 56.2 37.49 28.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 3.2 p -51.11 -24.92 4.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 32.0 p-10 -143.27 119.74 11.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.28 21.52 12.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.838 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -80.47 149.31 30.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 3.2 tt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 30.8 tpp . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.768 0.318 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.6 124.54 24.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.965 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -118.9 124.23 46.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 8.0 m -128.26 150.35 50.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.855 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -73.3 76.03 1.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.7 p -110.13 131.08 55.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 8.6 p -82.04 -172.19 3.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -74.1 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -149.17 161.92 30.62 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.685 0.755 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 79.56 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.676 2.25 . . . . 0.0 112.38 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 4.4 ptm -104.65 -166.1 1.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -48.68 167.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.125 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t -45.2 123.92 4.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -176.13 137.1 0.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.086 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 43.1 p -50.24 128.2 18.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 39.6 t -107.9 63.55 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -132.4 93.43 3.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.1 m -141.84 134.18 27.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 25.7 mt -67.61 109.91 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 32.1 m -122.16 142.72 50.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -90.24 120.39 31.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 94.6 m -80.47 -176.93 5.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.521 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.1 OUTLIER -79.59 161.75 65.71 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.577 0.703 . . . . 0.0 110.901 179.922 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.521 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.8 Cg_endo -69.77 -29.04 24.47 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.704 2.269 . . . . 0.0 112.35 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -75.99 -26.89 57.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.828 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -82.09 150.1 27.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.2 p -146.66 17.22 1.29 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -149.98 143.44 25.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 11.8 m -97.0 155.11 16.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 5.5 ttp -129.7 139.85 51.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -136.76 133.53 36.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.144 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 52.0 m -113.13 113.91 26.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 2.5 mt -101.62 139.46 37.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 8.9 p -146.57 121.7 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.11 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 26.8 p -101.0 54.46 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 5.8 m -81.45 -33.31 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -163.84 83.85 0.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -100.26 26.06 6.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.079 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -163.33 177.93 8.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.916 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.518 ' HA ' ' C ' ' A' ' 140' ' ' PRO . 20.0 m-85 -47.95 156.11 0.77 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.691 0.758 . . . . 0.0 110.899 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 139' ' ' TYR . 53.3 Cg_endo -69.79 -48.29 0.28 Allowed 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.654 -1.811 . . . . 0.0 112.345 -0.082 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -176.49 171.19 2.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -130.47 145.09 51.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -89.66 10.31 23.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -139.81 161.36 56.67 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.675 0.75 . . . . 0.0 110.866 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -176.28 1.42 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.701 2.267 . . . . 0.0 112.339 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 8.6 p -89.32 -43.34 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.128 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 19.7 m -151.51 133.06 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 24.8 p -106.55 104.79 14.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 19.2 ttt85 -91.88 140.16 29.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.837 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 73.2 m -150.21 153.56 36.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.828 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 22.0 m -68.89 147.33 51.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 35.9 t -143.68 162.23 36.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.4 p -120.21 11.39 11.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.8 p -165.17 88.07 0.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.4 t -69.68 106.78 3.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 18.6 t -145.48 151.21 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.175 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -71.76 109.05 5.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 28.3 p -139.43 113.96 9.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -139.53 81.26 20.43 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.636 0.731 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -8.05 22.61 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.656 2.237 . . . . 0.0 112.362 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -70.23 -65.93 0.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.1 t 57.32 23.64 9.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 50.5 mm -69.54 -22.46 25.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.153 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 173.37 32.15 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.505 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 48.44 31.38 2.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 111.098 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -99.98 1.06 42.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.126 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 61.5 m80 -100.43 84.09 2.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 7.0 mp -84.24 129.89 34.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 44.8 mm -105.84 91.57 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.145 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -89.76 111.82 22.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 5.4 p -126.49 159.72 32.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 1.8 p -149.67 -177.38 5.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.823 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -133.9 32.41 3.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -141.65 139.26 32.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -57.36 121.55 10.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 5.2 mt 59.09 38.02 24.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 8.0 p -48.52 -25.6 1.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -138.9 136.74 35.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 3.8 p -100.04 -13.49 19.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -69.75 173.28 6.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.963 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.855 0.359 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.49 123.67 21.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -111.38 132.16 54.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 0.644 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 38.3 m -131.86 143.95 50.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -74.09 75.73 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 6.8 p -104.35 125.82 50.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.103 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 22.7 p -83.1 152.79 25.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -90.97 7.09 41.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -138.62 76.65 35.37 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.693 0.759 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -2.6 10.46 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.645 2.23 . . . . 0.0 112.361 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -95.41 -43.12 8.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 82.4 p -55.75 125.66 22.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.12 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.02 -4.68 51.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -54.25 -72.78 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.084 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 69.2 p -162.78 -172.74 3.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 48.6 t -157.62 80.52 0.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 -144.71 98.71 3.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 25.0 m -150.71 128.64 11.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 59.5 mt -68.26 115.33 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 53.9 m -127.83 146.07 50.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 -89.17 121.99 32.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.644 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 92.9 m -80.34 -174.57 4.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.525 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.0 OUTLIER -85.78 161.9 49.04 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.577 0.704 . . . . 0.0 110.896 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.525 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.6 Cg_endo -69.82 -30.5 21.91 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.653 2.235 . . . . 0.0 112.335 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -73.95 -27.18 60.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -82.23 152.27 26.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 26.6 p -146.26 15.15 1.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -150.87 148.14 28.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.078 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 34.6 m -100.97 153.73 19.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -127.87 141.93 51.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.4 m -133.87 131.1 38.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.1 m -102.72 104.19 14.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.179 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -101.72 120.82 40.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 7.1 m -100.49 100.95 11.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.6 m -75.39 -4.86 41.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 22.8 m -50.14 162.34 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.12 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -51.72 135.42 29.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -178.7 99.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.148 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -129.08 -176.4 3.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.497 ' HA ' ' C ' ' A' ' 140' ' ' PRO . 5.3 m-85 -63.69 160.65 42.72 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.639 0.733 . . . . 0.0 110.924 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 139' ' ' TYR . 53.7 Cg_endo -69.76 -44.92 0.46 Allowed 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.305 -0.035 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -157.44 168.27 27.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -122.07 156.32 33.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -73.86 -25.77 60.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.94 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 3.2 p -90.36 156.32 45.89 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.632 0.729 . . . . 0.0 110.886 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -176.0 1.33 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.682 2.255 . . . . 0.0 112.395 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 60.1 t -92.39 -71.75 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.143 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 21.2 m -146.21 146.18 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 2.0 p -112.24 100.19 8.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 28.4 ttt-85 -95.72 125.57 40.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.8 p -140.55 161.6 37.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.859 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 15.2 m -69.66 154.68 41.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 34.9 t -148.69 163.28 37.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.9 p -119.16 10.99 12.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.839 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.2 p -161.84 88.07 0.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.82 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.3 t -68.63 114.51 7.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 26.9 t -141.34 126.95 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.163 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -100.19 109.76 22.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.101 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 77.2 p -150.71 -174.98 4.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -141.93 80.19 15.75 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.61 0.719 . . . . 0.0 110.836 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -8.23 23.07 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.671 2.247 . . . . 0.0 112.325 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -86.27 -47.02 9.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 2.5 p 62.53 16.21 8.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 64.0 mt -72.24 -21.32 20.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.169 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 140.49 36.89 0.11 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 50.79 36.59 14.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.781 0.324 . . . . 0.0 111.095 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -91.92 14.68 14.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.076 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 73.1 m80 -153.99 80.74 1.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -74.42 157.88 34.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 3.5 mp -133.85 98.96 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -89.53 145.01 25.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.0 p -150.8 162.13 41.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.935 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 3.5 p -149.67 -175.85 5.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -134.84 30.22 3.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -138.88 140.53 38.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -55.66 123.23 13.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 16.4 mt 52.97 40.37 30.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.955 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 14.5 p -46.99 -27.85 1.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 18.7 p30 -154.57 141.4 19.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 3.1 m -100.8 6.34 43.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -69.77 173.87 5.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 8.3 mp . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.945 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 3.5 ttm . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.841 0.353 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.23 125.05 28.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.0 mttp -123.16 122.2 37.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 3.3 m -126.6 152.83 46.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -70.84 81.34 0.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.934 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.0 p -107.87 122.57 47.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.155 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . 0.467 ' HB3' ' HA ' ' A' ' 115' ' ' CYS . 1.5 p -87.1 162.99 17.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -100.69 34.53 2.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -148.99 154.31 39.46 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.646 0.736 . . . . 0.0 110.878 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -165.76 0.16 Allowed 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.709 2.273 . . . . 0.0 112.327 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.04 -20.35 38.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 81.1 p -48.27 157.44 0.32 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.165 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 41.0 p -51.6 115.14 1.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 179.84 125.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.1 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.5 t -51.47 147.97 5.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.818 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . 0.467 ' HA ' ' HB3' ' A' ' 106' ' ' CYS . 2.8 t -137.52 72.24 1.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -147.9 49.46 1.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.5 m -112.25 130.98 55.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.117 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 74.6 mt -69.13 97.08 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.11 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 46.5 m -105.61 144.65 32.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.159 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.28 124.05 34.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 91.5 m -76.87 -176.4 3.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.507 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 9.0 mttt -81.63 161.27 62.07 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.525 0.678 . . . . 0.0 110.908 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.507 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.4 Cg_endo -69.73 -30.97 21.55 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.677 2.251 . . . . 0.0 112.342 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -75.02 -27.04 59.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -84.09 153.85 23.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 24.6 p -146.55 18.07 1.32 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.149 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -150.42 157.82 43.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.097 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 32.2 m -107.52 161.43 14.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.2 ttt -136.12 142.72 44.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 17.6 m -137.17 116.88 13.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.4 m -101.62 126.26 48.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 10.5 tt -120.13 125.89 49.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 3.5 p -164.2 124.73 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 85.2 m -70.82 127.92 34.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 18.3 m -139.79 178.23 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -93.57 155.37 17.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -177.83 99.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.106 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -56.7 169.28 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.517 ' HA ' ' C ' ' A' ' 140' ' ' PRO . 34.2 m-85 -51.9 157.72 1.96 Allowed Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.689 0.757 . . . . 0.0 110.907 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 139' ' ' TYR . 53.4 Cg_endo -69.78 176.97 30.52 Favored 'Cis proline' 0 C--N 1.341 0.155 0 C-N-CA 122.642 -1.816 . . . . 0.0 112.324 -0.065 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -128.79 169.3 14.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -132.21 166.46 21.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -95.35 35.66 1.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.78 161.19 38.52 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.713 0.768 . . . . 0.0 110.823 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 179.64 3.56 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.712 2.275 . . . . 0.0 112.351 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 98.3 t -116.39 102.47 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.17 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 27.8 m -141.03 133.15 29.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.17 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 2.8 p -95.99 101.62 13.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.162 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 24.6 ttm-85 -90.34 131.0 36.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 72.7 m -147.5 155.78 42.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 18.2 m -69.26 156.08 39.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 42.4 t -150.19 150.44 31.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -108.1 8.58 28.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.8 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 4.7 p -153.85 82.05 1.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.1 t -69.06 110.12 4.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 66.5 t -150.05 144.45 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -93.56 110.99 22.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 4.2 t -148.75 121.87 8.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.167 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.56 95.71 7.68 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.569 0.7 . . . . 0.0 110.848 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -7.61 21.49 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.695 2.263 . . . . 0.0 112.319 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.0 -60.73 1.57 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.857 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 58.29 20.84 7.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 70.4 mt -78.81 -21.44 12.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.178 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 163.2 37.26 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.457 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 50.58 39.15 20.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.795 0.331 . . . . 0.0 111.078 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -91.91 14.84 14.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 51.7 m-70 -147.0 76.34 1.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -75.24 139.75 42.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 45.2 mm -122.86 99.87 7.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.202 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -102.12 114.62 28.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 12.7 p -120.6 164.45 16.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 20.2 p -154.78 -168.63 2.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -141.99 23.94 2.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -132.16 140.36 48.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -56.13 127.75 32.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 4.5 mt 51.14 34.44 11.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 26.9 p -47.36 -33.53 5.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -162.66 -178.81 6.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -174.44 96.53 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.69 -14.09 62.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.819 0.342 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.84 125.34 26.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.7 mtpp -120.1 125.35 48.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 3.8 m -126.19 153.37 44.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.842 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -75.83 75.7 2.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.0 p -110.06 127.43 54.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.109 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 10.7 p -82.65 159.6 22.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.04 17.55 13.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -150.35 68.91 8.75 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.614 0.721 . . . . 0.0 110.881 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 80.89 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.67 2.247 . . . . 0.0 112.336 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 9.6 tpt -173.74 -44.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 2.3 m -55.61 130.99 45.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.206 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.1 m -78.27 -13.31 59.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -52.46 -70.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.085 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -163.96 -167.95 1.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 39.5 t -172.44 84.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.9 mmm-85 -142.46 100.57 3.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 22.5 m -150.39 130.46 13.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 59.8 mt -69.37 115.16 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 39.0 m -124.88 143.66 50.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -90.68 123.28 34.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 84.8 m -80.69 -179.32 7.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.531 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.2 OUTLIER -81.84 162.78 56.4 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.614 0.721 . . . . 0.0 110.902 179.896 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.531 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.7 Cg_endo -69.77 -29.94 23.02 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.639 2.226 . . . . 0.0 112.335 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -72.64 -28.14 62.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -84.54 152.59 23.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 11.0 p -145.57 14.89 1.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -145.46 155.41 43.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.064 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 58.0 m -109.34 155.6 21.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.825 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -129.21 140.27 51.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.8 m -138.87 126.58 22.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 4.8 m -106.06 118.23 36.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -109.66 118.13 35.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 10.1 m -140.3 120.8 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.1 m -69.9 91.71 0.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 16.9 m -101.44 37.74 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -80.89 -19.04 45.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -93.19 18.1 9.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.087 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -144.35 146.8 32.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.526 ' HA ' ' C ' ' A' ' 140' ' ' PRO . 32.5 p90 -80.54 152.89 73.27 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.676 0.75 . . . . 0.0 110.877 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 139' ' ' TYR . 53.7 Cg_endo -69.7 175.67 35.47 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.33 -0.127 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -112.56 144.82 41.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -147.27 177.18 9.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -80.01 -68.9 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 2.4 m -83.54 160.27 59.47 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.679 0.752 . . . . 0.0 110.865 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 173.46 10.89 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.703 2.269 . . . . 0.0 112.342 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 3.1 p -131.99 141.1 46.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 18.9 m -139.54 153.48 23.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.6 p -111.44 98.29 7.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 17.9 ttt85 -92.97 135.16 34.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.5 m -150.26 155.58 39.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 12.4 m -69.15 151.46 46.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 39.5 t -149.92 148.69 29.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 7.1 p -100.95 16.4 25.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.9 p -168.52 94.24 0.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -68.13 123.68 21.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.832 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 26.1 t -146.4 129.58 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -140.81 133.42 28.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.055 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -162.67 113.57 1.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.183 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.94 76.76 33.22 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.629 0.728 . . . . 0.0 110.9 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -7.81 22.0 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.662 2.242 . . . . 0.0 112.358 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.51 -64.41 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.6 t 64.34 15.81 9.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.816 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 10.4 mt -146.95 111.66 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 80.17 102.63 0.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.439 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 59.6 36.82 22.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.755 0.312 . . . . 0.0 111.066 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -100.36 72.81 1.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.103 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -67.03 111.24 3.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -69.98 143.04 52.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 78.4 mt -122.64 92.87 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -89.72 108.9 19.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 11.6 p -124.14 160.04 28.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 2.9 p -152.16 -175.43 5.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -131.65 23.68 4.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.03 141.83 44.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.23 126.82 27.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.826 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 10.0 mt 51.08 37.6 18.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 31.2 p -42.71 -34.94 0.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -174.33 -175.18 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.29 93.0 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -68.21 -17.51 64.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 9.9 tp . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 -179.951 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.86 0.362 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.16 124.27 24.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.17 132.13 56.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 0.418 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 8.7 m -135.36 145.91 47.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -69.82 85.62 0.49 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.7 p -116.7 123.4 47.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.174 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 8.3 p -84.83 -176.0 6.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 6.2 tptt -79.48 -62.89 1.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.952 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -131.3 160.39 67.35 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.639 0.733 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 108.69 2.14 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.711 2.274 . . . . 0.0 112.328 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 39.2 mmm -142.2 146.27 35.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 41.6 p -80.36 -51.45 8.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.2 t -71.66 -14.06 61.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -95.04 93.45 7.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.078 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.1 t -48.58 104.12 0.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 30.9 t -76.36 66.16 2.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -135.81 51.99 2.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.7 m -105.77 130.75 53.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.167 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 82.9 mt -68.91 119.88 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 47.7 m -128.15 144.85 51.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.8 mtt180 -89.31 124.25 34.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.837 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.418 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 85.6 m -79.41 -179.9 7.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.543 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 4.9 mttm -80.91 162.4 59.96 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.61 0.719 . . . . 0.0 110.893 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.543 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.6 Cg_endo -69.78 -29.64 23.45 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.717 2.278 . . . . 0.0 112.334 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -74.02 -26.91 60.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -84.65 152.7 23.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 28.5 p -147.04 15.58 1.18 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -150.89 143.62 24.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.086 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 46.3 m -91.36 165.72 13.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -142.36 142.05 32.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 2.6 m -131.04 151.57 51.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.19 124.85 31.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.14 105.32 5.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.967 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 7.0 p -100.83 -43.63 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -166.43 179.27 5.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 4.0 m -121.47 89.67 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.14 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.9 112.92 0.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -100.49 24.25 9.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.088 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -105.64 135.06 47.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.515 ' HA ' ' C ' ' A' ' 140' ' ' PRO . 24.2 p90 -80.25 153.99 74.44 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.683 0.754 . . . . 0.0 110.948 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 139' ' ' TYR . 54.1 Cg_endo -69.69 147.88 85.4 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.715 -1.785 . . . . 0.0 112.375 -0.161 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -174.99 179.57 1.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -122.87 -177.44 3.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -78.98 -3.03 42.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.942 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.3 t -91.54 152.88 43.93 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.689 0.757 . . . . 0.0 110.867 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -169.82 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.695 2.264 . . . . 0.0 112.381 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 77.5 t -127.14 107.93 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 11.9 m -147.81 137.33 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 14.9 p -104.95 122.56 46.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.096 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -108.94 136.63 48.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 16.4 p -147.71 155.39 41.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 19.5 m -69.45 156.26 39.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.927 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 33.8 t -150.17 164.42 35.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.9 p -119.35 8.18 11.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.8 p -161.24 87.25 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.7 t -69.13 105.19 2.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 12.6 p -150.51 148.45 15.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -71.53 106.89 4.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.063 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 7.0 m -88.91 89.25 7.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.182 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -155.75 77.35 4.67 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.638 0.732 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -87.35 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.698 2.265 . . . . 0.0 112.299 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -98.71 1.37 46.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 3.9 t 65.42 18.93 11.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 17.5 mt -100.61 46.5 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.134 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 162.38 99.15 0.14 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.537 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 50.14 68.48 0.75 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.753 0.311 . . . . 0.0 111.122 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -100.38 37.91 1.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.062 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -71.06 -170.02 0.42 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.84 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.19 115.69 28.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 2.5 mp -101.94 114.79 42.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.149 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -109.02 107.8 18.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 7.0 p -119.16 164.3 15.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 4.9 p -156.4 -175.58 5.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -131.92 36.06 3.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.813 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -140.69 140.72 34.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.34 122.6 14.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 14.5 mt 57.17 35.11 25.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 1.8 p -51.88 -24.76 6.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.895 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -142.14 116.56 9.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 14.9 p -100.71 4.99 43.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -83.13 153.96 24.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.842 0.353 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.67 125.13 25.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.936 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 21.0 mtmt -121.55 137.33 54.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 5.9 m -138.0 146.17 42.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -69.69 87.13 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.2 p -119.86 126.84 51.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.156 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 12.6 p -82.95 159.57 22.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -95.71 -4.35 44.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -131.49 70.3 81.64 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.675 0.75 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 69.26 1.66 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.679 2.253 . . . . 0.0 112.343 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 3.6 mmt -151.04 -56.79 0.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 11.8 t -57.99 147.84 27.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.142 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t -82.02 8.31 10.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -64.72 -159.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.049 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.9 m -58.9 -63.35 1.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.834 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 1.5 t 65.78 44.36 2.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.465 ' NE ' HH12 ' A' ' 149' ' ' ARG . 1.9 mmt-85 -137.76 97.19 3.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.5 m -130.11 143.65 50.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.17 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 59.8 mt -68.43 118.58 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.179 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 38.8 m -130.92 146.01 52.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.96 123.06 32.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 89.1 m -78.7 -177.56 5.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.542 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 15.2 mmtt -82.1 161.66 59.53 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.618 0.723 . . . . 0.0 110.899 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.542 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.6 Cg_endo -69.76 -29.34 24.02 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.71 2.273 . . . . 0.0 112.343 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -74.68 -27.7 60.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -81.58 152.91 26.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 17.2 p -146.24 14.87 1.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -150.35 153.51 36.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.129 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 49.5 m -103.8 159.36 15.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 2.5 ttt -135.52 138.9 43.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 2.6 m -130.9 149.21 52.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.125 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -127.5 115.35 18.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.176 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 1.3 mt -105.6 107.49 18.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 2.6 p -101.13 100.11 9.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.155 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 10.0 t -100.15 39.4 1.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 29.8 m -66.42 -39.38 83.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -154.83 84.37 1.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -100.46 25.5 7.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.07 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -76.57 157.23 32.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.512 ' HA ' ' C ' ' A' ' 140' ' ' PRO . 2.6 p90 -80.62 157.79 71.82 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.655 0.741 . . . . 0.0 110.951 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 139' ' ' TYR . 53.8 Cg_endo -69.72 -48.87 0.25 Allowed 'Cis proline' 0 C--O 1.231 0.155 0 C-N-CA 122.724 -1.782 . . . . 0.0 112.344 -0.071 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -160.62 -175.57 5.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -128.33 158.06 39.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -69.91 -25.96 63.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 2.0 m -82.29 160.4 62.6 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.644 0.735 . . . . 0.0 110.831 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 175.37 8.14 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.668 2.245 . . . . 0.0 112.37 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 41.6 t -89.63 -64.41 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 6.4 m -147.95 137.18 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.166 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.4 p -107.75 116.33 31.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.465 HH12 ' NE ' ' A' ' 116' ' ' ARG . 5.1 ttm105 -106.17 134.52 49.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.1 m -145.58 157.99 43.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.823 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 12.4 m -69.68 152.39 44.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 45.8 t -145.82 148.4 32.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 12.3 p -103.05 13.72 33.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.8 p -170.15 93.07 0.22 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.2 t -68.58 106.84 2.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 14.0 t -145.66 154.6 13.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.068 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -70.16 102.47 2.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 19.3 m -100.47 93.0 5.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.141 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -139.51 79.89 23.56 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.55 0.69 . . . . 0.0 110.844 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -8.67 24.2 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.327 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -75.05 -59.02 2.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.1 t 65.62 20.13 11.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.804 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 11.3 mt -146.42 111.8 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 97.08 -29.91 9.9 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 48.77 34.28 5.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.832 0.349 . . . . 0.0 111.105 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -74.36 -18.36 60.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -99.99 91.73 4.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -85.25 128.41 34.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 3.8 mp -110.64 112.92 42.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.134 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -109.99 114.07 27.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.8 p -124.62 157.31 35.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.849 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 3.8 p -149.86 -175.63 5.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -133.3 32.44 3.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -140.96 139.76 34.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.93 126.33 25.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 6.4 mt 50.78 38.41 19.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 6.2 p -49.02 -25.3 1.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -138.94 163.3 32.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 1.9 t -171.48 92.34 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -140.07 154.89 47.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 2.3 tt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.967 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.2 ptm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.833 0.349 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.44 124.0 24.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.71 131.94 56.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 13.4 m -130.49 148.54 52.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -72.88 76.56 1.16 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.6 p -109.54 126.39 53.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.185 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 7.6 p -83.57 175.41 9.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.97 -45.33 67.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -150.44 160.5 32.81 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.644 0.735 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 132.49 23.42 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.687 2.258 . . . . 0.0 112.369 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 3.6 ttp -154.99 164.48 38.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.845 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 23.2 p -80.76 -74.58 0.31 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.1 p -50.18 -50.71 48.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -51.49 102.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.1 t -51.61 -24.24 5.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 42.3 t 63.91 71.05 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 33.6 mmm-85 -143.3 68.6 1.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.7 m -115.88 133.96 55.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 68.0 mt -68.04 106.72 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 40.3 m -117.95 144.05 45.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -88.81 124.23 33.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 96.3 m -80.21 -177.3 6.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.52 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 11.8 mttt -82.1 161.89 58.75 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.547 0.689 . . . . 0.0 110.927 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.52 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.3 Cg_endo -69.78 -30.88 21.49 Favored 'Trans proline' 0 C--N 1.34 0.119 0 C-N-CA 122.695 2.263 . . . . 0.0 112.315 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -73.39 -29.22 62.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -80.16 153.06 28.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 23.0 p -146.76 17.33 1.27 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -150.63 155.94 40.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 84.5 m -104.69 160.53 14.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.3 ttt -137.28 141.24 41.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.4 m -133.94 147.61 51.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.1 m -119.84 105.49 11.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.157 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -96.83 109.12 21.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 4.3 m -149.46 107.68 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 3.0 m -87.66 118.73 27.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 42.5 t -106.61 -70.36 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -152.44 150.24 29.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -178.92 101.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.08 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -151.82 168.93 23.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.927 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.488 ' HA ' ' C ' ' A' ' 140' ' ' PRO . 5.8 m-85 -53.98 160.86 2.03 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.679 0.752 . . . . 0.0 110.928 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.488 ' C ' ' HA ' ' A' ' 139' ' ' TYR . 53.7 Cg_endo -69.78 -20.05 10.97 Favored 'Cis proline' 0 C--O 1.231 0.163 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.307 -0.031 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -52.79 151.21 4.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -111.15 31.33 6.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.833 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -86.28 174.19 9.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' SER . . . . . 0.487 ' N ' ' HD2' ' A' ' 145' ' ' PRO . 1.1 m 179.83 -60.26 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.662 0.744 . . . . 0.0 110.88 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 144' ' ' SER . 53.8 Cg_endo -69.69 95.69 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.703 2.269 . . . . 0.0 112.364 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 4.7 m -112.36 91.03 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.113 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 9.1 m -146.47 141.76 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 39.7 p -109.13 119.18 38.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 8.4 ttm105 -107.53 135.93 48.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 72.1 p -148.34 157.46 43.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 16.2 m -69.75 154.11 42.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 36.5 t -149.61 153.13 36.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.833 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 1.5 p -109.78 6.8 23.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.828 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 4.2 p -157.61 86.29 0.92 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -68.73 115.18 7.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.832 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 8.6 p -150.51 157.34 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -93.37 111.37 23.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.114 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 2.4 t -85.66 93.98 8.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -138.94 80.35 24.6 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.578 0.704 . . . . 0.0 110.887 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . 0.405 ' HG2' ' H ' ' A' ' 161' ' ' ASP . 54.1 Cg_endo -69.71 -86.85 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.657 2.238 . . . . 0.0 112.398 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . 0.405 ' H ' ' HG2' ' A' ' 160' ' ' PRO . 2.7 m-20 -70.53 -35.02 72.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.834 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 8.6 t 58.0 23.67 10.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.842 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 69.3 mt -69.08 -20.99 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.13 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -130.35 -38.34 0.31 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 48.9 36.68 8.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.771 0.319 . . . . 0.0 111.105 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -80.64 -16.93 52.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.05 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -100.78 85.8 2.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -79.68 115.64 19.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 44.0 mm -97.82 120.57 47.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -113.02 109.23 18.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 9.6 p -119.46 165.51 14.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 21.1 p -161.76 -169.26 2.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -138.94 32.01 2.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -130.65 141.74 50.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.27 119.55 10.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 13.1 mt 61.99 28.85 17.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 2.8 p -55.44 -25.58 37.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -102.5 87.26 2.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -94.62 25.74 3.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -151.38 156.6 41.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.849 0.357 . . . . 0.0 110.838 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.75 120.59 24.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.75 122.89 42.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 8.5 m -133.29 145.71 50.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -72.58 76.76 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.6 p -111.89 128.35 56.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 11.2 p -82.94 -175.02 5.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -68.14 -65.7 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -130.84 157.91 76.51 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.659 0.742 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 91.21 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.687 2.258 . . . . 0.0 112.301 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -105.73 132.51 51.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.889 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 18.3 p -52.28 -75.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.126 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 97.4 p -80.5 92.97 5.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -178.15 132.11 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 51.1 p -52.89 -36.98 60.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 49.7 t 51.28 64.41 1.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 6.9 mmt-85 -140.22 95.68 2.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.921 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 41.9 m -141.88 135.09 29.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 57.7 mt -68.57 103.75 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.1 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 24.3 m -112.49 142.56 44.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 -89.36 122.52 32.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 82.3 m -81.36 -174.82 5.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.533 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.1 OUTLIER -83.11 162.29 54.92 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.587 0.708 . . . . 0.0 110.906 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.533 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.9 Cg_endo -69.71 -29.36 24.22 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.689 2.26 . . . . 0.0 112.357 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -74.94 -26.3 59.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -83.07 149.49 26.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 15.7 p -145.25 15.65 1.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.152 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -150.5 141.68 23.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 60.9 m -91.46 165.13 13.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 5.3 ttp -140.86 144.53 35.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.4 m -136.26 155.14 50.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.126 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 10.0 m -131.89 125.54 31.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 9.8 tt -123.66 119.3 29.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 5.8 m -139.87 116.63 9.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 73.8 p -146.92 124.58 11.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.114 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 94.3 t -122.56 -38.16 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -132.0 -170.36 2.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -175.29 99.04 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -163.57 164.99 24.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.512 ' HA ' ' C ' ' A' ' 140' ' ' PRO . 2.0 p90 -50.67 157.17 1.36 Allowed Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.682 0.753 . . . . 0.0 110.919 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 139' ' ' TYR . 53.2 Cg_endo -69.84 -17.61 12.03 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.323 0.029 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -51.36 152.45 2.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -121.61 176.33 5.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.905 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -69.41 110.54 4.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.7 m -175.87 161.25 2.0 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.689 0.757 . . . . 0.0 110.857 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 145.31 57.09 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.709 2.273 . . . . 0.0 112.344 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 7.7 p -130.96 34.23 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.142 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 18.8 m -105.35 133.72 48.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 7.7 p -99.04 165.36 11.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.169 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 12.5 ttt180 -143.28 136.36 27.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.1 m -146.43 157.46 43.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.838 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 16.7 m -69.81 155.97 39.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 37.1 t -150.87 163.17 39.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 3.3 p -120.79 7.27 10.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.5 p -160.51 86.76 0.74 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.824 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.1 t -68.79 110.33 4.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 21.7 t -145.75 150.21 15.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -90.21 108.92 20.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.089 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -158.05 108.94 2.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.175 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.99 114.46 33.06 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.585 0.707 . . . . 0.0 110.881 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -7.78 21.93 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.711 2.274 . . . . 0.0 112.327 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -92.98 -45.55 7.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.859 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.2 t 60.01 19.5 8.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.833 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 42.0 mm -87.67 -21.8 7.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.075 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 162.35 36.56 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.485 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 50.55 35.16 10.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.793 0.33 . . . . 0.0 111.092 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -79.66 -16.16 56.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -100.46 93.39 5.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -77.21 123.11 25.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 4.2 mp -107.61 108.69 25.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.104 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -103.09 108.48 19.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 9.0 p -122.8 157.54 32.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 3.5 p -149.79 -176.79 5.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -129.66 29.72 4.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -137.26 139.57 41.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.49 124.4 19.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 10.0 mt 54.39 36.64 25.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 2.8 p -50.16 -25.33 3.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -139.49 114.09 9.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 5.3 t -100.71 25.4 7.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.817 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -140.76 138.89 34.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.928 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 4.4 ttp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.81 0.338 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.03 122.49 20.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.953 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -119.14 123.04 43.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 33.0 m -118.96 151.53 38.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -76.28 76.82 3.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.952 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.6 p -110.18 123.83 50.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 9.8 p -83.91 163.65 19.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.84 -73.6 0.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -94.62 153.42 40.23 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.622 0.725 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 95.95 0.58 Allowed 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.654 2.236 . . . . 0.0 112.346 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -153.15 91.22 1.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 11.2 m -77.28 -16.21 59.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 84.3 p -50.49 -30.91 13.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -123.13 -164.1 1.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.083 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 21.8 m -68.07 88.69 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 1.7 t -93.1 34.21 1.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.58 84.5 2.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.5 m -104.53 143.46 33.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 62.7 mt -68.4 97.65 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 48.2 m -109.35 142.68 39.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.166 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.37 119.2 29.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 79.1 m -80.35 175.12 10.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.442 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 8.4 mtmm -69.22 162.26 67.12 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.608 0.718 . . . . 0.0 110.877 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.442 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.8 Cg_endo -69.78 -28.69 24.87 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.681 2.254 . . . . 0.0 112.312 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -78.69 -29.98 45.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -74.46 148.02 41.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 14.3 p -145.9 15.98 1.39 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -151.05 144.17 24.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.111 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 17.1 m -92.21 158.59 16.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 2.0 ttt -134.04 146.52 50.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.7 m -138.25 142.51 39.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.171 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.3 m -111.43 103.6 11.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.156 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 13.7 tp -104.39 104.49 14.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 27.8 t -142.12 113.09 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 11.9 t -160.48 148.38 16.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 21.8 t -107.72 -27.85 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.159 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -134.81 168.39 19.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -172.46 97.91 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -157.63 154.85 29.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.506 ' HA ' ' C ' ' A' ' 140' ' ' PRO . 23.8 m-85 -70.76 158.72 87.35 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.735 0.779 . . . . 0.0 110.884 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 139' ' ' TYR . 53.3 Cg_endo -69.81 176.43 32.76 Favored 'Cis proline' 0 C--N 1.342 0.224 0 C-N-CA 122.629 -1.821 . . . . 0.0 112.335 -0.024 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -50.56 164.39 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -111.25 138.25 47.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 11.9 tm0? -74.71 -24.64 58.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 3.6 m -86.74 157.91 54.42 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.693 0.759 . . . . 0.0 110.88 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 167.49 24.32 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.676 2.251 . . . . 0.0 112.334 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 49.3 t -124.45 -45.53 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.12 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 8.8 m -146.55 151.97 13.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 6.6 p -128.27 126.18 40.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -103.55 131.93 50.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.3 m -141.93 156.62 45.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.831 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 32.4 m -68.68 155.29 40.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 47.1 t -150.36 159.51 44.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.3 p -116.54 16.55 15.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.8 p -169.09 91.61 0.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.6 t -69.18 107.51 3.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 21.6 t -145.01 150.3 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -86.49 107.93 18.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 1.8 t -100.59 92.14 4.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.137 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -136.71 83.08 30.81 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.604 0.716 . . . . 0.0 110.883 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -7.65 21.6 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.674 2.249 . . . . 0.0 112.34 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -86.32 -58.56 2.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.897 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.2 t 64.56 17.28 10.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 10.5 mt -146.69 112.32 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.119 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 98.54 -21.11 47.64 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.469 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 49.44 39.33 16.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.841 0.353 . . . . 0.0 111.08 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -74.71 -5.75 44.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 65.7 m80 -139.54 90.54 2.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.95 153.66 18.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 5.3 mp -143.4 110.93 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.174 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -98.31 147.36 24.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.3 p -151.17 158.77 44.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 28.8 p -150.18 178.71 8.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -131.97 35.25 3.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 9.2 mmt180 -139.07 137.52 36.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.32 120.74 9.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 14.4 mt 61.18 33.07 19.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 11.9 p -50.1 -26.23 4.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -101.55 67.19 1.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 75.3 p -94.89 32.92 1.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -84.74 -14.89 46.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 3.3 tm? . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 -179.982 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.4 ptp . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.839 0.352 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.77 124.18 24.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -114.78 126.83 55.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 7.1 m -131.1 145.5 52.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -71.4 81.19 0.77 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.8 p -113.55 125.51 54.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.118 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 18.1 p -83.14 156.0 23.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.7 pttt -97.77 18.16 16.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -150.16 77.77 8.18 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.652 0.739 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 93.22 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.677 2.251 . . . . 0.0 112.371 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 2.6 ptt? -128.94 -173.36 2.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 21.4 p -74.66 -74.45 0.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.144 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 98.2 p -78.99 95.59 5.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -175.08 128.51 0.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.113 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.0 m -59.88 -36.13 76.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.825 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 42.1 t 57.23 76.46 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 10.1 mtm180 -145.75 97.57 2.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.863 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 24.3 m -150.58 132.49 15.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 61.2 mt -68.46 110.13 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 34.6 m -118.64 143.87 46.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.124 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 17.5 mtt180 -89.5 123.49 33.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 97.7 m -80.65 -178.69 6.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.518 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 1.2 mttt -80.72 161.8 62.59 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.593 0.711 . . . . 0.0 110.854 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.518 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.5 Cg_endo -69.76 -28.96 24.6 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.692 2.261 . . . . 0.0 112.337 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -75.33 -29.29 59.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -80.64 152.35 28.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 15.3 p -146.66 16.54 1.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -149.24 151.53 34.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.141 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 57.0 m -103.29 156.3 17.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.3 ttt -131.95 139.24 48.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 20.3 m -128.2 138.77 52.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.124 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 97.5 m -117.24 129.14 55.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.194 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 19.5 tp -127.99 126.9 42.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 30.0 m -140.45 -174.65 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.163 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 13.7 p -70.17 132.01 45.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 18.0 m -70.48 160.65 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -113.49 154.02 27.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -99.99 28.03 5.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.064 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -90.14 157.76 17.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.523 ' HA ' ' C ' ' A' ' 140' ' ' PRO . 16.9 p90 -80.08 153.44 74.72 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.696 0.76 . . . . 0.0 110.887 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 139' ' ' TYR . 53.7 Cg_endo -69.74 175.43 36.54 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.37 -0.077 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -97.9 151.61 20.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -164.56 152.8 12.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.896 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -98.71 12.17 36.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.1 m -100.47 154.96 36.9 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.712 0.768 . . . . 0.0 110.836 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -169.46 0.33 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.658 2.239 . . . . 0.0 112.39 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 3.4 p -145.45 112.7 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.156 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 1.5 m -146.02 132.63 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.137 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -99.39 104.49 16.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -94.68 136.87 34.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 25.4 m -148.27 156.08 42.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 13.2 m -69.39 152.76 44.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 42.3 t -149.02 150.5 32.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 10.3 p -103.71 15.17 29.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.82 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.0 p -166.43 92.51 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.836 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.6 t -67.89 107.56 2.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 59.9 t -149.81 143.73 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -71.16 -173.94 0.92 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.09 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 1.6 m -150.44 116.91 5.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.132 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -147.02 80.11 9.63 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.597 0.713 . . . . 0.0 110.905 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -87.04 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.694 2.263 . . . . 0.0 112.34 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -74.23 -24.26 59.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 2.6 p 62.32 17.42 9.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 22.7 mt -100.31 89.04 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.114 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 116.0 -36.42 3.84 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.488 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 49.51 34.79 7.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.757 0.313 . . . . 0.0 111.11 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -69.85 -17.09 63.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -100.01 94.23 6.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.35 132.82 37.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 5.1 mp -122.65 121.33 63.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.157 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -117.59 113.42 21.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 16.2 p -121.76 162.67 20.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 2.7 p -152.86 -175.29 5.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -132.8 33.6 3.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 18.5 mtt180 -141.21 140.19 33.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.83 121.64 12.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 15.1 mt 58.99 36.29 24.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 2.4 p -50.97 -25.03 4.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 32.4 p30 -157.01 149.87 23.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 1.4 t -139.31 73.99 1.45 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -69.95 161.12 30.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 18.8 tp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 179.983 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 11.3 ttm . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.814 0.34 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.81 124.43 23.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -119.18 124.48 46.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 5.0 m -129.2 147.18 51.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -72.0 80.6 0.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.985 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.5 p -111.44 127.18 55.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.146 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 16.3 p -82.79 177.16 8.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.69 -66.19 0.62 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -130.43 160.44 65.9 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.654 0.74 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 149.56 67.15 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.366 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.59 163.85 2.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 16.5 p -80.12 -72.97 0.38 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.6 t -50.16 -48.69 53.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.843 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -52.1 102.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.131 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.0 m -52.6 -23.86 7.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 45.1 t 62.77 79.45 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 27.3 mmm-85 -150.34 95.96 2.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 11.4 m -149.01 134.23 18.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 60.1 mt -67.91 117.54 9.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.117 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 36.9 m -128.63 143.17 50.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.24 123.48 34.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 74.9 m -80.85 177.05 9.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.436 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 12.8 mtmt -69.93 161.91 71.99 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.589 0.709 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.436 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.3 Cg_endo -69.81 -28.94 24.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.342 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -77.83 -28.46 50.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.38 147.87 32.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 14.1 p -143.67 13.08 1.71 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.176 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -140.54 155.36 46.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.089 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 65.5 m -109.26 157.38 18.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.3 ttt -130.74 146.56 52.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 3.2 m -139.32 118.96 13.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -98.09 125.38 43.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 23.7 tp -128.73 120.79 27.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.933 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 7.4 p -100.34 -39.92 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 11.6 t -177.16 -179.72 0.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.165 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 5.6 t -143.98 48.16 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.161 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -88.65 -176.64 5.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -87.19 55.83 3.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -56.47 174.51 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.507 ' HA ' ' C ' ' A' ' 140' ' ' PRO . 2.9 m-85 -78.69 158.06 76.17 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.68 0.752 . . . . 0.0 110.897 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 139' ' ' TYR . 54.1 Cg_endo -69.74 -49.36 0.23 Allowed 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.377 -0.093 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -146.12 -39.25 0.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -45.92 114.26 0.75 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -94.7 25.98 3.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.1 p -69.3 160.07 80.57 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.65 0.738 . . . . 0.0 110.88 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 108.84 2.18 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.712 2.275 . . . . 0.0 112.328 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 4.0 p -89.92 115.28 29.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 25.1 m -147.72 146.18 18.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 10.0 p -106.26 101.14 10.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.173 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -92.29 127.58 37.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.1 t -139.4 174.73 10.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.856 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 18.8 m -80.67 155.51 26.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 29.1 t -150.32 143.8 25.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 12.7 p -104.75 13.27 31.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.7 p -163.55 88.24 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.819 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.8 t -69.23 110.52 4.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 77.3 t -150.0 143.61 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.106 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -99.85 111.88 24.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.07 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 2.7 m -161.73 128.42 3.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -136.39 79.77 41.37 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.628 0.728 . . . . 0.0 110.85 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -43.84 2.39 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.311 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -89.15 -59.51 2.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.1 t 59.98 20.05 9.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 69.7 mt -93.48 -21.43 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.118 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -110.77 59.58 0.35 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.504 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 50.9 29.61 4.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.81 0.338 . . . . 0.0 111.12 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -100.7 32.17 3.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.125 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -69.97 -78.4 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -84.94 121.14 27.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 66.5 mt -128.04 94.19 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -93.54 146.99 23.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 9.4 p -150.54 161.3 42.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 2.6 p -153.09 -176.02 5.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.952 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -132.23 33.26 3.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -140.39 139.96 35.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.74 124.04 18.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 11.7 mt 56.34 36.95 28.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 3.2 p -51.48 -23.38 3.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 9.6 p-10 -137.62 167.97 20.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 1.4 p -169.73 92.07 0.23 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.823 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.04 -77.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 3.1 mm? . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.994 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 3.3 ttm . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.834 0.35 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.06 124.78 24.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -119.84 125.84 49.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 3.9 m -128.51 149.46 50.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -72.13 79.34 0.95 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.8 p -115.61 128.59 56.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.169 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 13.5 p -82.61 -175.49 5.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.63 -65.26 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -146.21 160.35 42.92 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.695 0.759 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 90.02 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.651 2.234 . . . . 0.0 112.349 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 16.5 ptt? -164.08 -40.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 1.6 p -63.76 107.04 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.7 m -76.93 -41.13 44.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -50.88 -69.97 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.074 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.7 p -139.76 138.88 36.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 1.6 t -136.53 34.07 2.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.55 91.18 3.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.7 m -116.89 147.48 42.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 49.6 mt -67.06 100.27 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 36.3 m -113.94 143.01 45.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.157 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.86 123.6 33.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 71.2 m -81.04 175.45 10.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.444 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.1 OUTLIER -71.02 161.58 77.33 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.581 0.705 . . . . 0.0 110.906 179.898 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.444 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.1 Cg_endo -69.76 -28.87 24.74 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.704 2.27 . . . . 0.0 112.315 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -76.81 -29.24 55.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -76.43 151.78 36.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 16.5 p -147.04 17.64 1.23 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -150.13 153.85 37.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.131 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 58.2 m -107.16 155.25 20.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.846 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 5.2 ttp -129.01 141.35 51.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 27.7 m -131.86 123.06 26.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 86.6 m -95.58 115.72 27.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 6.2 tt -119.58 123.33 43.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 8.6 p -101.65 114.1 39.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.158 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.7 m -84.99 68.49 10.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 10.4 p -129.62 -37.84 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -151.88 88.91 1.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -96.56 23.92 6.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -161.36 178.92 8.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.518 ' HA ' ' C ' ' A' ' 140' ' ' PRO . 1.0 OUTLIER -54.9 157.09 5.97 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.699 0.762 . . . . 0.0 110.882 -179.824 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 139' ' ' TYR . 53.7 Cg_endo -69.72 175.64 35.62 Favored 'Cis proline' 0 C--O 1.232 0.2 0 C-N-CA 122.723 -1.782 . . . . 0.0 112.35 -0.074 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -96.84 171.38 8.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.842 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -137.29 -175.85 4.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -94.26 24.68 4.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.9 m -140.36 161.37 55.46 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.661 0.743 . . . . 0.0 110.871 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 176.15 7.13 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.745 2.297 . . . . 0.0 112.366 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 10.3 p -89.38 -33.5 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.141 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 26.8 m -148.89 151.79 12.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.14 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 16.5 p -117.54 114.59 23.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 -94.24 140.75 29.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 54.1 p -149.43 152.61 35.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 27.7 m -69.36 152.6 44.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 47.2 t -150.43 154.18 37.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.2 p -110.95 14.52 22.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.861 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.8 p -162.16 88.61 0.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.885 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.6 t -68.84 107.53 3.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 6.7 m -150.6 137.12 12.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -94.36 108.11 20.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -162.77 124.99 2.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.084 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.29 125.61 92.05 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.605 0.717 . . . . 0.0 110.876 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . 0.405 ' HG2' ' H ' ' A' ' 161' ' ' ASP . 53.2 Cg_endo -69.81 -87.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.647 2.231 . . . . 0.0 112.37 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . 0.405 ' H ' ' HG2' ' A' ' 160' ' ' PRO . 0.5 OUTLIER -100.42 -4.78 28.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.853 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.4 t 66.28 20.43 11.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 12.0 mt -145.81 112.49 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.14 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 118.0 59.83 0.29 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.481 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 50.31 30.42 4.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.79 0.329 . . . . 0.0 111.116 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -100.82 32.66 3.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -82.52 -77.75 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -89.44 128.39 35.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 45.4 mm -134.28 94.08 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.088 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -89.47 149.42 22.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 7.1 p -150.86 160.42 43.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 3.8 p -150.13 -176.05 5.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -133.45 32.21 3.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.22 139.92 37.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.35 123.57 16.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 9.8 mt 56.35 37.06 28.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 4.2 p -50.41 -25.67 4.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -140.89 118.2 11.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.16 24.84 8.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.836 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.85 138.71 38.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 2.5 tm? . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 -179.983 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 47.2 tpp . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.779 0.323 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.93 125.29 26.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.886 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -119.68 126.48 51.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 8.0 m -127.92 152.37 47.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -76.12 67.89 2.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 7.3 p -93.18 121.81 34.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.163 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 10.3 p -83.17 -175.07 5.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.928 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 6.1 tttp -70.31 -74.16 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -144.69 161.41 43.58 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.61 0.719 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 77.78 1.04 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.691 2.261 . . . . 0.0 112.402 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 36.1 mtm -154.52 -43.18 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -50.88 120.68 5.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 29.0 m -80.09 -24.61 40.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -51.68 -78.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.083 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.5 m -179.08 131.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 50.9 t -76.78 77.69 3.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 8.5 mtt180 -138.93 97.83 3.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -146.14 122.91 11.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.147 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 55.5 mt -66.09 119.12 10.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 27.7 m -135.03 145.0 47.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.14 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -88.71 123.44 33.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 96.3 m -81.37 -175.66 5.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.544 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 20.4 mmtt -80.9 161.69 62.53 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.569 0.699 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.544 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.7 Cg_endo -69.76 -28.93 24.65 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.742 2.295 . . . . 0.0 112.336 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -75.79 -29.8 58.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -82.23 151.17 26.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 19.5 p -146.15 15.32 1.33 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -145.96 150.84 36.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 34.8 m -103.35 158.24 16.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -135.68 145.05 46.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -140.66 122.71 15.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.3 m -100.23 119.21 38.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 17.9 tp -121.39 120.3 34.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 6.1 m -139.77 111.34 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 9.2 t -141.9 150.42 41.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 70.8 t -130.04 -49.21 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -119.17 174.53 6.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -98.54 23.95 7.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -58.84 176.68 0.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.486 ' HA ' ' C ' ' A' ' 140' ' ' PRO . 12.5 m-85 -49.9 160.37 0.65 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.706 0.765 . . . . 0.0 110.942 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.486 ' C ' ' HA ' ' A' ' 139' ' ' TYR . 53.8 Cg_endo -69.82 176.2 33.72 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.324 -0.025 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -51.33 -29.89 16.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -59.08 -171.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -68.54 -73.51 0.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 6.1 p -168.08 62.47 0.56 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.678 0.751 . . . . 0.0 110.798 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 74.29 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.68 2.254 . . . . 0.0 112.332 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 9.8 p -135.72 27.71 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 14.4 m -102.8 150.6 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.32 108.72 10.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.194 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -92.04 129.92 37.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -143.31 168.68 19.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.882 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 6.0 m -76.75 152.04 35.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 37.4 t -149.48 143.98 26.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 19.9 p -96.64 15.73 20.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.9 p -168.76 96.26 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -66.96 113.95 5.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -139.08 173.57 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -138.42 -168.22 2.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 14.7 p -139.17 127.33 22.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -69.64 161.06 76.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.563 0.697 . . . . 0.0 110.878 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 1.71 4.2 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.649 2.233 . . . . 0.0 112.33 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -66.09 -14.79 62.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 2.5 p 61.8 18.2 9.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 29.7 mm -69.25 -20.43 24.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.159 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -163.86 81.59 0.12 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.486 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 51.36 88.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.739 0.304 . . . . 0.0 111.054 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -86.57 60.8 6.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.072 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -99.74 164.83 11.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -72.75 88.38 1.3 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.945 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 85.3 mt -93.5 100.88 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.095 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -97.48 118.42 33.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 9.6 p -131.94 158.86 40.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 2.0 p -151.32 -175.61 5.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -132.84 30.1 4.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 3.1 mpp_? -140.52 140.64 35.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -56.93 124.95 20.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 5.9 mt 53.5 38.0 27.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 13.2 p -47.18 -28.27 1.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.844 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -173.47 167.23 4.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -154.71 84.27 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.843 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -139.5 140.06 37.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 -179.942 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.844 0.354 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.37 124.7 24.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -118.69 135.72 54.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.865 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 0.639 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 11.2 m -133.14 142.04 48.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -69.54 85.19 0.43 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.3 p -121.39 130.52 53.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 13.8 p -82.91 148.38 27.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.9 2.28 35.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -146.31 81.29 9.62 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.646 0.736 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 68.83 1.7 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.672 2.248 . . . . 0.0 112.365 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 3.2 mmt -147.77 -40.12 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 65.7 p -48.64 140.81 7.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.159 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.6 m -80.72 -2.64 47.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -158.97 146.72 17.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.04 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.4 t 66.45 79.84 0.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 1.5 t -136.86 43.42 2.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.926 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.29 94.83 2.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.7 m -118.29 150.12 40.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 57.4 mt -67.04 104.62 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 41.1 m -120.69 145.66 47.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.84 123.55 33.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.85 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.639 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 92.7 m -77.62 -178.4 5.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.527 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 9.6 mmtt -81.68 161.03 62.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.566 0.698 . . . . 0.0 110.907 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.527 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.7 Cg_endo -69.75 -29.44 23.92 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.72 2.28 . . . . 0.0 112.308 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -76.11 -25.83 55.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.954 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -84.09 154.44 23.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 19.7 p -147.8 17.85 1.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.158 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -150.16 153.52 36.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.094 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 64.7 m -104.1 155.55 18.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.2 ttt -131.4 138.13 48.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.8 m -130.28 120.51 24.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.156 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.3 m -98.58 117.41 32.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 10.7 tp -120.05 125.95 49.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 4.4 m -146.3 127.21 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.1 p -69.77 114.16 7.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.135 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 4.1 t -103.36 159.53 4.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -49.68 159.77 0.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -94.52 22.63 5.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.076 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -59.15 145.92 40.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.528 ' HA ' ' C ' ' A' ' 140' ' ' PRO . 29.0 p90 -80.45 152.76 73.38 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.713 0.768 . . . . 0.0 110.864 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 139' ' ' TYR . 54.3 Cg_endo -69.69 148.26 86.2 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.662 -1.807 . . . . 0.0 112.35 -0.152 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -98.56 155.16 17.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -106.68 174.3 5.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -100.2 -11.43 20.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -140.15 160.96 58.06 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.682 0.753 . . . . 0.0 110.849 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 132.89 24.21 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.684 2.256 . . . . 0.0 112.312 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 10.5 p -89.51 137.16 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 16.6 m -150.29 149.91 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 2.6 p -107.49 101.93 11.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.159 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.83 139.66 30.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 81.0 p -150.08 152.65 35.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 20.8 m -69.57 154.76 41.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 38.1 t -150.26 157.62 43.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 1.7 p -110.65 9.08 22.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 4.9 p -159.62 88.44 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -68.49 124.07 22.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 25.6 m -132.68 -177.17 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.142 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -146.67 138.02 24.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 17.1 p -70.63 -165.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -78.68 136.44 59.2 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.635 0.731 . . . . 0.0 110.854 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -0.16 6.53 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.705 2.27 . . . . 0.0 112.307 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -67.4 -37.05 82.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 64.89 39.24 6.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 9.2 mt -146.56 114.09 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.121 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 88.42 101.83 0.96 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.524 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 48.99 38.29 12.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 0.0 111.104 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -93.7 64.49 3.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -69.37 132.08 45.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.59 101.79 1.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 85.5 mt -103.18 93.28 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -90.63 110.98 22.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 10.1 p -121.77 160.59 24.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 29.4 p -153.65 -170.37 3.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -138.58 31.81 2.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -134.45 141.4 46.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.819 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.28 123.99 18.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 10.5 mt 53.6 34.15 18.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.944 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 9.5 p -51.94 -25.76 8.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -100.89 154.06 18.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 3.3 m -161.07 78.31 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -93.47 -16.05 24.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -179.946 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 5.8 tpp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.865 0.364 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.83 123.92 22.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -117.38 130.43 56.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 0.565 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 3.8 m -130.04 149.67 51.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -74.45 72.46 1.86 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.8 p -102.36 126.88 49.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.151 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 15.5 p -82.42 150.63 26.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 42.9 mttt -70.62 -26.41 63.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -113.66 74.98 2.49 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.659 0.742 . . . . 0.0 110.913 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -1.98 9.43 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.67 2.246 . . . . 0.0 112.339 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 2.4 mtt -97.4 -29.83 13.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 66.6 p -62.24 141.2 58.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.9 t -81.19 1.81 30.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.883 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -80.08 -161.39 0.35 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.4 p -62.88 175.39 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 45.1 t -161.41 81.34 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 -146.72 100.6 3.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 20.7 m -149.56 131.22 14.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 56.9 mt -68.8 111.2 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 30.9 m -123.5 145.17 49.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.01 125.4 34.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.565 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 85.2 m -80.13 -179.43 7.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.52 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 2.5 mttt -83.84 162.47 52.44 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.609 0.719 . . . . 0.0 110.887 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.52 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.9 Cg_endo -69.78 -28.89 24.58 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.676 2.251 . . . . 0.0 112.365 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -73.94 -30.73 62.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -81.71 154.61 25.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 23.5 p -146.84 15.53 1.21 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.15 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -148.0 157.44 43.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 83.1 m -110.96 153.94 24.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.841 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -126.42 143.12 51.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 2.5 m -137.87 110.17 7.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -96.62 123.71 40.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.116 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 10.2 tt -122.48 139.13 54.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 5.3 p -139.51 119.28 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.2 m -96.79 110.99 23.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 10.4 t -105.87 147.34 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.096 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -81.24 0.16 38.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -174.17 99.26 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.093 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -85.43 4.28 36.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.52 ' HA ' ' C ' ' A' ' 140' ' ' PRO . 1.3 p90 -52.45 154.49 4.4 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.653 0.739 . . . . 0.0 110.933 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.52 ' C ' ' HA ' ' A' ' 139' ' ' TYR . 53.9 Cg_endo -69.77 -21.18 10.39 Favored 'Cis proline' 0 C--O 1.231 0.174 0 C-N-CA 122.674 -1.802 . . . . 0.0 112.342 -0.106 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -54.15 172.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -66.63 164.72 16.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -100.06 34.28 2.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.3 t -86.2 153.02 56.46 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.62 0.724 . . . . 0.0 110.87 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 103.55 1.18 Allowed 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.71 2.273 . . . . 0.0 112.353 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 3.5 p -105.81 130.61 57.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 25.9 m -137.85 139.76 42.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.115 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 6.8 p -97.48 95.66 7.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 7.3 ttm105 -92.77 118.14 30.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 5.5 m -136.59 160.35 39.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 13.9 m -69.57 153.02 44.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 44.5 t -149.58 147.85 28.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 4.6 p -98.93 13.25 33.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 4.4 p -161.04 91.6 0.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.8 t -66.99 110.09 3.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 24.3 m -128.14 175.16 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.157 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -152.95 -175.1 5.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.065 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 2.1 t -69.23 96.71 0.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -68.7 158.69 84.93 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.604 0.716 . . . . 0.0 110.854 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -4.26 13.66 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.686 2.257 . . . . 0.0 112.355 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -68.4 -12.96 61.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.857 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.1 t 58.65 20.79 8.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.865 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 39.9 mm -80.78 -19.79 11.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.167 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -132.11 -102.99 0.88 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.501 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 51.71 34.38 12.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.784 0.326 . . . . 0.0 111.062 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -79.7 -17.83 52.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.068 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -163.01 163.54 26.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -71.83 119.84 16.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 5.6 mt -114.11 101.04 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.127 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -105.92 104.84 14.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 23.1 p -116.6 170.25 8.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 4.7 p -160.8 -174.93 4.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -133.68 31.89 3.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.01 140.53 36.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.67 125.01 21.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 13.9 mt 54.58 36.79 26.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.951 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 3.6 p -50.8 -24.77 3.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -140.78 123.74 16.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 6.9 p -100.67 -3.82 29.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -70.04 170.69 10.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 2.5 tm? . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.816 0.341 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.02 123.92 23.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -119.72 126.39 50.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 9.6 m -131.63 150.06 52.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -69.83 85.09 0.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.3 p -126.46 134.33 50.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.133 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 9.3 p -81.41 159.96 24.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt -68.31 -34.62 76.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -150.29 161.47 30.63 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.664 0.745 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 68.16 1.71 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.692 2.261 . . . . 0.0 112.368 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.78 -177.93 5.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 31.9 p -50.58 168.53 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.3 t -74.1 -6.52 48.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -51.04 -41.4 59.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.134 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.2 t -175.64 123.86 0.21 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 1.7 t -144.46 40.74 1.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -140.17 97.94 3.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.7 m -124.58 158.51 32.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.205 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 61.9 mt -67.36 95.66 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.109 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 25.0 m -110.56 142.78 41.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.74 122.36 33.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 72.2 m -79.99 178.37 8.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.553 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.4 OUTLIER -77.88 163.11 64.95 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.616 0.722 . . . . 0.0 110.901 179.906 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.553 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 54.0 Cg_endo -69.71 -29.26 24.38 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.688 2.259 . . . . 0.0 112.369 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -76.27 -27.56 56.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -85.56 150.0 24.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 30.3 p -147.42 20.51 1.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -150.24 144.19 25.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 4.9 m -95.31 156.48 16.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -133.24 141.01 47.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 2.7 m -132.71 144.98 50.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.173 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.5 m -122.31 105.57 10.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.64 126.95 53.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.912 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 40.0 t -96.88 -48.02 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.165 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 3.7 m -143.23 149.52 38.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.138 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 7.3 p -125.29 -36.74 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.145 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -79.47 109.29 13.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -179.61 101.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.068 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -52.63 152.25 3.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.537 ' HA ' ' C ' ' A' ' 140' ' ' PRO . 1.0 OUTLIER -80.99 153.67 72.45 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.658 0.742 . . . . 0.0 110.929 -179.859 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 139' ' ' TYR . 53.6 Cg_endo -69.76 179.73 21.49 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.329 -0.044 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.472 ' CD1' ' N ' ' A' ' 141' ' ' PHE . 0.1 OUTLIER -118.67 -68.87 0.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.827 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -179.56 -179.07 0.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -92.24 -6.7 49.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' SER . . . . . 0.454 ' HB3' ' HD2' ' A' ' 145' ' ' PRO . 0.7 OUTLIER -101.45 159.95 27.98 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.713 0.768 . . . . 0.0 110.832 -179.807 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . 0.454 ' HD2' ' HB3' ' A' ' 144' ' ' SER . 53.4 Cg_endo -69.8 146.11 58.98 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.696 2.264 . . . . 0.0 112.316 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 7.6 p -88.93 -35.34 7.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 4.2 m -145.86 146.52 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 2.8 p -124.1 120.72 33.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.45 ' NE ' HD22 ' A' ' 178' ' ' ASN . 0.2 OUTLIER -98.95 141.82 31.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 58.7 m -150.3 154.77 38.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 37.3 m -69.03 151.3 46.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.844 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 34.1 t -147.98 164.74 32.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.872 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.5 p -120.94 7.87 10.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.82 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.1 p -156.02 85.5 1.02 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -69.4 113.65 6.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 14.7 m -149.93 149.11 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -97.42 111.27 23.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 8.8 t -172.99 132.39 0.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.105 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.407 ' HA ' ' HD2' ' A' ' 160' ' ' PRO . 19.1 t0 -101.89 100.12 13.9 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.607 0.717 . . . . 0.0 110.845 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 159' ' ' ASP . 53.5 Cg_endo -69.77 -6.49 18.73 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.659 2.24 . . . . 0.0 112.339 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -69.29 -23.05 63.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.1 t 59.69 20.34 9.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 30.4 mm -82.66 -20.45 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.174 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 130.66 33.28 0.48 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.491 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 50.98 33.42 8.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.788 0.327 . . . . 0.0 111.076 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -74.37 -19.95 60.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.076 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -100.41 113.11 25.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.47 133.46 34.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 4.8 mp -110.61 114.02 45.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -102.05 117.04 33.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 7.8 p -128.6 158.97 37.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 4.9 p -149.23 -176.98 5.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -134.92 33.7 3.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -141.7 139.37 32.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.93 121.69 11.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 7.7 mt 60.81 36.25 19.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 8.7 p -49.84 -24.09 2.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . 0.45 HD22 ' NE ' ' A' ' 149' ' ' ARG . 1.7 p30 -137.84 171.92 13.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 97.0 p -176.23 80.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.83 -15.43 60.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.948 179.975 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.777 0.322 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.52 124.16 23.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.2 mtmm -113.46 130.16 56.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.895 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 0.607 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 7.6 m -134.41 141.92 46.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -69.93 89.88 0.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.8 p -125.77 128.77 48.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.134 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 21.5 p -82.18 161.35 22.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -85.37 -24.84 27.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.932 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -114.0 73.41 2.4 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.626 0.727 . . . . 0.0 110.941 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -3.01 11.16 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.7 2.267 . . . . 0.0 112.341 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 8.6 mtt -93.33 -38.2 11.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.873 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 9.0 p -66.93 144.64 56.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.6 m -81.3 2.3 28.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -67.12 -161.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.102 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.8 m -73.59 141.09 46.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 49.0 t -130.75 73.63 1.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 46.1 mtp180 -148.42 96.36 2.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.5 m -149.63 140.53 22.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 57.3 mt -69.84 117.21 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 44.4 m -123.47 144.6 49.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 -89.33 124.36 34.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.607 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 79.0 m -80.41 -179.38 7.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.51 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 1.1 mttp -83.02 161.67 57.1 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.572 0.701 . . . . 0.0 110.947 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.51 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.7 Cg_endo -69.82 -30.13 22.49 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -74.88 -25.87 59.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -83.27 154.67 24.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 22.7 p -147.37 16.8 1.17 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -150.45 152.91 35.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.104 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 60.4 m -103.27 156.15 17.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 3.3 ttp -132.28 140.88 48.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -131.73 145.93 51.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 64.6 m -121.88 113.77 20.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -109.38 120.97 44.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 5.7 m -100.62 99.33 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 6.8 t -70.82 -10.26 59.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 48.9 t -72.22 145.84 11.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.101 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -66.43 -170.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -176.5 99.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.071 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -56.27 152.27 11.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.514 ' HA ' ' C ' ' A' ' 140' ' ' PRO . 4.9 p90 -50.97 157.81 1.32 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.65 0.738 . . . . 0.0 110.887 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 139' ' ' TYR . 54.2 Cg_endo -69.67 150.87 90.59 Favored 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.351 -0.163 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -163.41 168.51 20.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 43.7 p-10 -99.95 179.66 4.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -83.16 -36.53 24.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 3.7 m -92.12 158.84 38.71 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.655 0.74 . . . . 0.0 110.854 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 143.28 50.32 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.366 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 4.6 p -99.86 138.23 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.143 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 16.9 m -147.66 136.4 15.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -97.8 105.91 18.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 13.0 ttt-85 -100.04 137.07 39.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 11.1 p -149.54 152.43 35.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 24.0 m -69.26 156.85 38.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 47.3 t -150.32 161.5 42.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 1.5 p -114.14 14.21 18.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.5 p -163.09 88.97 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.826 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 4.2 t -69.49 103.92 2.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 7.0 m -150.34 118.8 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.148 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -69.84 101.15 1.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.084 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 1.4 m -163.09 124.52 2.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.1 114.21 30.85 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.632 0.729 . . . . 0.0 110.85 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -87.0 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.66 2.24 . . . . 0.0 112.344 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -99.64 -22.84 15.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.4 t 61.83 19.03 10.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 37.3 mm -93.15 -21.65 6.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -96.94 29.45 10.58 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.488 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 53.27 40.63 31.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.808 0.337 . . . . 0.0 111.106 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -99.19 65.11 1.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 23.0 m-70 -69.21 -76.68 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -84.59 120.9 26.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 3.0 mp -112.13 114.25 46.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -111.07 113.85 26.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 21.4 p -122.98 164.6 18.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 4.6 p -155.59 -174.58 5.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -132.63 33.4 3.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 8.8 mtt-85 -141.89 139.96 32.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.06 124.98 21.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 15.0 mt 53.38 37.56 25.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.926 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 4.2 p -50.49 -24.15 2.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -138.54 -169.07 2.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 1.1 t -176.4 87.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -142.71 153.3 43.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.938 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.4 ptp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.805 0.336 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.87 127.42 32.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -120.59 138.48 53.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 0.692 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 6.4 m -136.29 145.55 45.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -72.05 82.01 0.96 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.0 p -112.68 124.06 51.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.139 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 21.4 p -83.56 171.98 12.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.0 mttp -100.2 -18.58 16.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -122.38 82.46 46.32 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.643 0.735 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -1.09 7.87 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.691 2.261 . . . . 0.0 112.354 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -107.06 -0.78 22.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.853 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 6.2 t -80.43 143.53 33.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.151 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.9 p -80.25 -3.03 47.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -68.72 -160.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.7 m -71.19 -45.65 62.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 1.6 t 65.95 65.39 0.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 19.0 mtm105 -150.48 107.72 3.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.8 m -139.4 141.01 37.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 63.5 mt -69.65 118.04 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.111 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 54.4 m -132.66 145.08 50.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.145 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 14.4 mtt85 -89.66 124.14 34.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.692 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 72.3 m -76.1 174.71 9.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.466 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.1 OUTLIER -71.92 161.99 75.77 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.53 0.681 . . . . 0.0 110.96 179.893 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.466 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.5 Cg_endo -69.81 -28.42 25.05 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.674 2.249 . . . . 0.0 112.324 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -76.55 -28.98 56.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -77.85 153.95 32.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 22.9 p -146.58 15.29 1.25 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -150.67 154.61 37.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 61.4 m -107.09 159.73 16.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.68 146.07 52.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 4.1 m -139.94 114.38 9.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 99.1 m -104.75 133.6 49.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 15.0 tp -118.99 116.51 26.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 19.8 t -100.59 105.14 17.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.3 m -99.11 37.57 1.52 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 21.3 m -80.86 -170.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -48.88 165.11 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -165.57 92.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.137 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -155.21 -177.39 6.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.459 ' HA ' ' C ' ' A' ' 140' ' ' PRO . 3.1 m-85 -48.4 164.38 0.27 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.681 0.753 . . . . 0.0 110.94 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.459 ' C ' ' HA ' ' A' ' 139' ' ' TYR . 53.4 Cg_endo -69.77 -52.63 0.16 OUTLIER 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.375 -0.031 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -64.1 166.49 7.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -91.09 -177.07 4.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 18.1 mp0 -151.69 176.31 11.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.4 m -178.23 162.87 1.22 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.665 0.745 . . . . 0.0 110.826 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 63.96 1.78 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.685 2.257 . . . . 0.0 112.374 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 5.4 p -100.26 162.03 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 31.5 m -138.25 140.32 40.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.177 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.4 p -88.41 98.89 11.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 26.0 ttm-85 -88.98 135.09 33.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 5.0 m -150.05 150.11 31.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 20.6 m -68.0 153.65 43.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 44.8 t -149.93 149.21 30.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 8.3 p -100.16 14.35 31.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.5 p -166.52 94.0 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.0 t -66.82 112.81 4.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 16.0 m -140.82 141.69 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -97.71 -167.07 1.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.107 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 89.4 m -68.46 97.25 0.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.402 ' HB3' ' HD2' ' A' ' 160' ' ' PRO . 0.7 OUTLIER -68.97 156.22 91.92 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.605 0.717 . . . . 0.0 110.88 179.904 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . 0.402 ' HD2' ' HB3' ' A' ' 159' ' ' ASP . 53.2 Cg_endo -69.79 -2.31 9.97 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.695 2.263 . . . . 0.0 112.325 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -67.6 -18.72 65.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 57.4 27.31 13.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 30.0 mt -69.57 -20.03 23.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -155.22 -89.66 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 53.44 33.9 17.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 0.0 111.067 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -74.9 -19.46 60.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.09 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -150.21 167.45 26.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -74.35 121.68 21.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 70.4 mt -101.44 124.3 55.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -131.19 103.02 6.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 12.2 p -113.51 166.31 11.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 4.6 p -154.74 -175.42 5.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -133.93 38.42 3.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -145.88 139.26 26.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.11 123.57 16.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 15.6 mt 56.13 36.93 28.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 1.9 p -51.23 -24.0 3.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -139.46 106.69 5.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 8.1 t -100.73 7.74 43.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.85 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -82.8 170.79 14.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 2.3 tt . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.976 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.824 0.345 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.36 128.2 53.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 4.0 m -132.69 147.73 52.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -71.33 80.1 0.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.5 p -113.17 130.53 56.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 14.4 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.97 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 57.6 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.894 0.378 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 37.6 m -127.6 144.02 51.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.127 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.56 121.87 32.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 88.5 m -80.69 178.36 8.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.427 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.1 OUTLIER -73.44 161.45 78.97 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.603 0.716 . . . . 0.0 110.895 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.427 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.7 Cg_endo -69.7 -29.67 23.75 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.751 2.301 . . . . 0.0 112.388 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -75.81 -30.58 59.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -77.37 148.1 35.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 8.6 p -145.05 14.46 1.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.629 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -146.83 135.89 22.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.081 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 34.9 m -89.92 158.9 17.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.2 ttp -133.47 143.38 48.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.5 m -136.67 124.15 22.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.962 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.84 0.352 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 2.4 p -144.53 155.28 43.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 18.1 m -69.28 153.61 43.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 48.0 t -150.52 165.25 33.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.833 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 3.8 p -121.16 13.64 11.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.83 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.8 p -166.33 90.32 0.42 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 4.7 mp . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.806 0.336 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -89.19 109.78 20.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.848 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 5.9 p -123.3 159.66 28.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 1.8 p -149.72 -176.11 5.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 173' ' ' PHE . . . . . 0.629 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 69.7 m-85 -131.65 30.31 4.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -140.66 140.05 34.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -56.37 124.79 19.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 9.9 mt 52.69 39.19 28.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 9.1 p . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.859 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.873 0.368 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -113.67 129.25 56.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.667 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 8.3 m -133.44 141.16 47.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -69.77 85.99 0.49 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.8 p -118.17 124.53 48.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.121 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 19.4 p . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 61.1 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.936 0.398 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 46.6 m -123.01 145.38 48.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.3 124.48 34.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.667 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 84.2 m -79.99 -177.47 6.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.543 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 4.8 mttt -84.18 161.67 54.08 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.537 0.684 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.543 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.3 Cg_endo -69.78 -30.38 22.3 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.665 2.243 . . . . 0.0 112.356 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -74.3 -27.84 60.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -80.86 154.12 27.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 19.2 p -146.13 15.55 1.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.179 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.456 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -150.5 155.91 40.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 60.7 m -106.96 155.8 19.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -130.6 141.1 50.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.3 m -132.62 118.56 19.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.17 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 6.8 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.109 -179.949 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.83 0.347 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 37.1 p -145.21 153.59 41.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 18.7 m -69.26 155.88 39.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 45.9 t -150.04 159.92 44.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 1.8 p -113.48 12.54 18.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.8 p -160.85 87.28 0.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.6 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.851 -179.963 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 3.0 mp . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.915 0.388 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -100.39 113.02 25.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 18.9 p -121.41 161.32 22.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 2.8 p -150.76 -175.55 5.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 173' ' ' PHE . . . . . 0.456 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 55.3 m-85 -132.74 34.19 3.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 2.5 mpp_? -141.61 139.42 33.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.844 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.1 123.28 15.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 15.3 mt 56.2 37.49 28.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 3.2 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 179.906 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.889 0.376 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -118.9 124.23 46.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 8.0 m -128.26 150.35 50.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.855 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -73.3 76.03 1.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.7 p -110.13 131.08 55.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 8.6 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 25.7 mt . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.919 0.39 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 32.1 m -122.16 142.72 50.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -90.24 120.39 31.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 94.6 m -80.47 -176.93 5.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.543 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.1 OUTLIER -79.59 161.75 65.71 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.577 0.703 . . . . 0.0 110.901 179.922 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.543 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.8 Cg_endo -69.77 -29.04 24.47 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.704 2.269 . . . . 0.0 112.35 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -75.99 -26.89 57.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.828 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -82.09 150.1 27.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.2 p -146.66 17.22 1.29 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.649 ' HB2' ' CE2' ' A' ' 173' ' ' PHE . . . -149.98 143.44 25.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 11.8 m -97.0 155.11 16.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 5.5 ttp -129.7 139.85 51.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -136.76 133.53 36.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.144 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 52.0 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 19.2 ttt85 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.847 0.356 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 73.2 m -150.21 153.56 36.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.828 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 22.0 m -68.89 147.33 51.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 35.9 t -143.68 162.23 36.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.4 p -120.21 11.39 11.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.8 p -165.17 88.07 0.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.922 -179.978 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 44.8 mm . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.82 0.343 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -89.76 111.82 22.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 5.4 p -126.49 159.72 32.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 1.8 p -149.67 -177.38 5.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.823 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 173' ' ' PHE . . . . . 0.649 ' CE2' ' HB2' ' A' ' 127' ' ' ALA . 69.5 m-85 -133.9 32.41 3.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -141.65 139.26 32.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -57.36 121.55 10.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 5.2 mt 59.09 38.02 24.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 8.0 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.91 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.878 0.37 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -111.38 132.16 54.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.644 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 38.3 m -131.86 143.95 50.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -74.09 75.73 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 6.8 p -104.35 125.82 50.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.103 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 22.7 p . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.937 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 59.5 mt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.873 0.368 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 53.9 m -127.83 146.07 50.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 -89.17 121.99 32.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.644 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 92.9 m -80.34 -174.57 4.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.553 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.0 OUTLIER -85.78 161.9 49.04 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.577 0.704 . . . . 0.0 110.896 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.553 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.6 Cg_endo -69.82 -30.5 21.91 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.653 2.235 . . . . 0.0 112.335 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -73.95 -27.18 60.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -82.23 152.27 26.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 26.6 p -146.26 15.15 1.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.53 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -150.87 148.14 28.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.078 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 34.6 m -100.97 153.73 19.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -127.87 141.93 51.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.4 m -133.87 131.1 38.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.1 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.179 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 28.4 ttt-85 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.838 0.351 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.8 p -140.55 161.6 37.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.859 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 15.2 m -69.66 154.68 41.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 34.9 t -148.69 163.28 37.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.9 p -119.16 10.99 12.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.839 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.2 p -161.84 88.07 0.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.82 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 3.5 mp . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.847 0.355 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -89.53 145.01 25.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.0 p -150.8 162.13 41.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.935 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 3.5 p -149.67 -175.85 5.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 173' ' ' PHE . . . . . 0.53 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 60.2 m-85 -134.84 30.22 3.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -138.88 140.53 38.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -55.66 123.23 13.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 16.4 mt 52.97 40.37 30.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.955 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 14.5 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 179.892 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.903 0.382 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.0 mttp -123.16 122.2 37.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 3.3 m -126.6 152.83 46.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -70.84 81.34 0.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.934 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.0 p -107.87 122.57 47.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.155 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.5 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 74.6 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.926 0.393 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 46.5 m -105.61 144.65 32.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.159 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.28 124.05 34.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 91.5 m -76.87 -176.4 3.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.534 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 9.0 mttt -81.63 161.27 62.07 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.525 0.678 . . . . 0.0 110.908 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.534 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.4 Cg_endo -69.73 -30.97 21.55 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.677 2.251 . . . . 0.0 112.342 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -75.02 -27.04 59.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -84.09 153.85 23.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 24.6 p -146.55 18.07 1.32 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.149 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -150.42 157.82 43.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.097 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 32.2 m -107.52 161.43 14.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.2 ttt -136.12 142.72 44.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 17.6 m -137.17 116.88 13.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 24.6 ttm-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.881 0.372 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 72.7 m -147.5 155.78 42.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 18.2 m -69.26 156.08 39.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 42.4 t -150.19 150.44 31.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -108.1 8.58 28.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.8 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 4.7 p -153.85 82.05 1.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 45.2 mm . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.841 0.353 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -102.12 114.62 28.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 12.7 p -120.6 164.45 16.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 20.2 p -154.78 -168.63 2.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -141.99 23.94 2.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -132.16 140.36 48.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -56.13 127.75 32.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 4.5 mt 51.14 34.44 11.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 26.9 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.93 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.909 0.385 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.7 mtpp -120.1 125.35 48.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 3.8 m -126.19 153.37 44.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.842 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -75.83 75.7 2.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.0 p -110.06 127.43 54.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.109 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 10.7 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.952 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 59.8 mt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.881 0.372 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 39.0 m -124.88 143.66 50.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -90.68 123.28 34.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 84.8 m -80.69 -179.32 7.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.558 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.2 OUTLIER -81.84 162.78 56.4 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.614 0.721 . . . . 0.0 110.902 179.896 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.558 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.7 Cg_endo -69.77 -29.94 23.02 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.639 2.226 . . . . 0.0 112.335 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -72.64 -28.14 62.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -84.54 152.59 23.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 11.0 p -145.57 14.89 1.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.502 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -145.46 155.41 43.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.064 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 58.0 m -109.34 155.6 21.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.825 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -129.21 140.27 51.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.8 m -138.87 126.58 22.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 4.8 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 -179.964 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 17.9 ttt85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.825 0.345 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.5 m -150.26 155.58 39.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 12.4 m -69.15 151.46 46.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 39.5 t -149.92 148.69 29.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 7.1 p -100.95 16.4 25.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.9 p -168.52 94.24 0.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.832 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 78.4 mt . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.867 0.365 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -89.72 108.9 19.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 11.6 p -124.14 160.04 28.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 2.9 p -152.16 -175.43 5.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 173' ' ' PHE . . . . . 0.502 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 71.5 m-85 -131.65 23.68 4.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.03 141.83 44.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.23 126.82 27.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.826 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 10.0 mt 51.08 37.6 18.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 31.2 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.938 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.94 0.4 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.17 132.13 56.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.418 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 8.7 m -135.36 145.91 47.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -69.82 85.62 0.49 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.7 p -116.7 123.4 47.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.174 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 8.3 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 82.9 mt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.942 0.401 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 47.7 m -128.15 144.85 51.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.8 mtt180 -89.31 124.25 34.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.837 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.418 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 85.6 m -79.41 -179.9 7.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.565 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 4.9 mttm -80.91 162.4 59.96 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.61 0.719 . . . . 0.0 110.893 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.565 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.6 Cg_endo -69.78 -29.64 23.45 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.717 2.278 . . . . 0.0 112.334 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -74.02 -26.91 60.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -84.65 152.7 23.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 28.5 p -147.04 15.58 1.18 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.646 ' HB2' ' CE2' ' A' ' 173' ' ' PHE . . . -150.89 143.62 24.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.086 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 46.3 m -91.36 165.72 13.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -142.36 142.05 32.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 2.6 m -131.04 151.57 51.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.811 0.338 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 16.4 p -147.71 155.39 41.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 19.5 m -69.45 156.26 39.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.927 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 33.8 t -150.17 164.42 35.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.9 p -119.35 8.18 11.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.8 p -161.24 87.25 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.905 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 2.5 mp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.827 0.346 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -109.02 107.8 18.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 7.0 p -119.16 164.3 15.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 4.9 p -156.4 -175.58 5.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 173' ' ' PHE . . . . . 0.646 ' CE2' ' HB2' ' A' ' 127' ' ' ALA . 84.2 m-85 -131.92 36.06 3.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.813 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -140.69 140.72 34.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.34 122.6 14.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 14.5 mt 57.17 35.11 25.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 1.8 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.895 179.899 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.834 0.349 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 21.0 mtmt -121.55 137.33 54.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.421 ' O ' HG23 ' A' ' 105' ' ' THR . 5.9 m -138.0 146.17 42.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -69.69 87.13 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 103' ' ' CYS . 2.2 p -119.86 126.84 51.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.156 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 12.6 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 59.8 mt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.888 0.375 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 38.8 m -130.92 146.01 52.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.96 123.06 32.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 89.1 m -78.7 -177.56 5.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.566 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 15.2 mmtt -82.1 161.66 59.53 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.618 0.723 . . . . 0.0 110.899 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.566 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.6 Cg_endo -69.76 -29.34 24.02 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.71 2.273 . . . . 0.0 112.343 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -74.68 -27.7 60.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -81.58 152.91 26.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 17.2 p -146.24 14.87 1.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.545 ' HB2' ' CE2' ' A' ' 173' ' ' PHE . . . -150.35 153.51 36.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.129 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 49.5 m -103.8 159.36 15.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 2.5 ttt -135.52 138.9 43.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 2.6 m -130.9 149.21 52.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.125 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.176 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 5.1 ttm105 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.821 0.343 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.1 m -145.58 157.99 43.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.823 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 12.4 m -69.68 152.39 44.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 45.8 t -145.82 148.4 32.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 12.3 p -103.05 13.72 33.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.8 p -170.15 93.07 0.22 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 3.8 mp . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.859 0.361 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -109.99 114.07 27.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.8 p -124.62 157.31 35.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.849 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 3.8 p -149.86 -175.63 5.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 173' ' ' PHE . . . . . 0.545 ' CE2' ' HB2' ' A' ' 127' ' ' ALA . 78.1 m-85 -133.3 32.44 3.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -140.96 139.76 34.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.93 126.33 25.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 6.4 mt 50.78 38.41 19.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 6.2 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.916 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.906 0.384 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.71 131.94 56.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 13.4 m -130.49 148.54 52.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -72.88 76.56 1.16 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.6 p -109.54 126.39 53.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.185 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 7.6 p . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 68.0 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.903 0.383 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 40.3 m -117.95 144.05 45.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -88.81 124.23 33.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 96.3 m -80.21 -177.3 6.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.54 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 11.8 mttt -82.1 161.89 58.75 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.547 0.689 . . . . 0.0 110.927 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.54 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.3 Cg_endo -69.78 -30.88 21.49 Favored 'Trans proline' 0 C--N 1.34 0.119 0 C-N-CA 122.695 2.263 . . . . 0.0 112.315 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -73.39 -29.22 62.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -80.16 153.06 28.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 23.0 p -146.76 17.33 1.27 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.56 ' HB2' ' CE2' ' A' ' 173' ' ' PHE . . . -150.63 155.94 40.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 84.5 m -104.69 160.53 14.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.3 ttt -137.28 141.24 41.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.4 m -133.94 147.61 51.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.1 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.157 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 8.4 ttm105 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.785 0.326 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 72.1 p -148.34 157.46 43.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 16.2 m -69.75 154.11 42.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 36.5 t -149.61 153.13 36.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.833 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 1.5 p -109.78 6.8 23.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.828 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 4.2 p -157.61 86.29 0.92 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.832 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 44.0 mm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.853 0.358 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -113.02 109.23 18.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 9.6 p -119.46 165.51 14.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 21.1 p -161.76 -169.26 2.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 173' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 127' ' ' ALA . 54.4 m-85 -138.94 32.01 2.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -130.65 141.74 50.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.27 119.55 10.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 13.1 mt 61.99 28.85 17.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 2.8 p . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.913 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.42 HD12 ' N ' ' A' ' 127' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.921 0.391 . . . . 0.0 110.875 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.75 122.89 42.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 8.5 m -133.29 145.71 50.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -72.58 76.76 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.6 p -111.89 128.35 56.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 11.2 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 57.7 mt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.936 0.398 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 24.3 m -112.49 142.56 44.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 -89.36 122.52 32.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 82.3 m -81.36 -174.82 5.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.559 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.1 OUTLIER -83.11 162.29 54.92 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.587 0.708 . . . . 0.0 110.906 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.559 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.9 Cg_endo -69.71 -29.36 24.22 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.689 2.26 . . . . 0.0 112.357 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -74.94 -26.3 59.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -83.07 149.49 26.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 15.7 p -145.25 15.65 1.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.152 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.42 ' N ' HD12 ' A' ' 101' ' ' LEU . . . -150.5 141.68 23.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 60.9 m -91.46 165.13 13.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 5.3 ttp -140.86 144.53 35.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.4 m -136.26 155.14 50.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.126 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 10.0 m . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 12.5 ttt180 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.866 0.365 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.1 m -146.43 157.46 43.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.838 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 16.7 m -69.81 155.97 39.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 37.1 t -150.87 163.17 39.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 3.3 p -120.79 7.27 10.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.5 p -160.51 86.76 0.74 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.824 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 4.2 mp . . . . . 0 N--CA 1.457 -0.122 0 CA-C-O 120.842 0.353 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -103.09 108.48 19.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 9.0 p -122.8 157.54 32.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 3.5 p -149.79 -176.79 5.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -129.66 29.72 4.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -137.26 139.57 41.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.49 124.4 19.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 10.0 mt 54.39 36.64 25.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 2.8 p . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.872 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.446 HD12 ' CA ' ' A' ' 126' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.899 0.381 . . . . 0.0 110.953 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -119.14 123.04 43.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 33.0 m -118.96 151.53 38.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -76.28 76.82 3.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.952 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.6 p -110.18 123.83 50.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 9.8 p . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.972 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 62.7 mt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.927 0.394 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 48.2 m -109.35 142.68 39.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.166 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.37 119.2 29.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 79.1 m -80.35 175.12 10.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.422 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 8.4 mtmm -69.22 162.26 67.12 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.608 0.718 . . . . 0.0 110.877 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.422 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.8 Cg_endo -69.78 -28.69 24.87 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.681 2.254 . . . . 0.0 112.312 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -78.69 -29.98 45.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -74.46 148.02 41.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' THR . . . . . 0.446 ' CA ' HD12 ' A' ' 101' ' ' LEU . 14.3 p -145.9 15.98 1.39 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -151.05 144.17 24.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.111 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 17.1 m -92.21 158.59 16.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 2.0 ttt -134.04 146.52 50.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.7 m -138.25 142.51 39.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.171 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.156 -179.972 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.815 0.34 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.3 m -141.93 156.62 45.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.831 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 32.4 m -68.68 155.29 40.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 47.1 t -150.36 159.51 44.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.3 p -116.54 16.55 15.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.8 p -169.09 91.61 0.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 -179.972 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 5.3 mp . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.831 0.348 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -98.31 147.36 24.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.3 p -151.17 158.77 44.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 28.8 p -150.18 178.71 8.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -131.97 35.25 3.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 9.2 mmt180 -139.07 137.52 36.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.32 120.74 9.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 14.4 mt 61.18 33.07 19.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 11.9 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.908 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.856 0.36 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -114.78 126.83 55.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 7.1 m -131.1 145.5 52.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -71.4 81.19 0.77 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.8 p -113.55 125.51 54.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.118 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 18.1 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 61.2 mt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.923 0.392 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 34.6 m -118.64 143.87 46.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.124 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 17.5 mtt180 -89.5 123.49 33.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 97.7 m -80.65 -178.69 6.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.538 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 1.2 mttt -80.72 161.8 62.59 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.593 0.711 . . . . 0.0 110.854 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.538 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.5 Cg_endo -69.76 -28.96 24.6 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.692 2.261 . . . . 0.0 112.337 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -75.33 -29.29 59.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -80.64 152.35 28.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 15.3 p -146.66 16.54 1.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.478 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -149.24 151.53 34.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.141 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 57.0 m -103.29 156.3 17.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.3 ttt -131.95 139.24 48.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 20.3 m -128.2 138.77 52.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.124 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 97.5 m . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.194 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.843 0.354 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 25.4 m -148.27 156.08 42.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 13.2 m -69.39 152.76 44.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 42.3 t -149.02 150.5 32.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 10.3 p -103.71 15.17 29.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.82 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.0 p -166.43 92.51 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.836 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 -179.955 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 5.1 mp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.931 0.396 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -117.59 113.42 21.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 16.2 p -121.76 162.67 20.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 2.7 p -152.86 -175.29 5.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 173' ' ' PHE . . . . . 0.478 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 55.7 m-85 -132.8 33.6 3.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 18.5 mtt180 -141.21 140.19 33.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.83 121.64 12.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 15.1 mt 58.99 36.29 24.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 2.4 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.911 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.907 0.384 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -119.18 124.48 46.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 5.0 m -129.2 147.18 51.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.427 ' OH ' HD13 ' A' ' 176' ' ' LEU . 35.9 m-85 -72.0 80.6 0.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.985 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.5 p -111.44 127.18 55.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.146 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 16.3 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.888 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 60.1 mt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.881 0.372 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 36.9 m -128.63 143.17 50.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.24 123.48 34.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 74.9 m -80.85 177.05 9.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.427 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 12.8 mtmt -69.93 161.91 71.99 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.589 0.709 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.427 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.3 Cg_endo -69.81 -28.94 24.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.342 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -77.83 -28.46 50.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.38 147.87 32.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 14.1 p -143.67 13.08 1.71 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.176 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.526 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -140.54 155.36 46.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.089 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 65.5 m -109.26 157.38 18.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.3 ttt -130.74 146.56 52.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 3.2 m -139.32 118.96 13.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.768 0.318 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.1 t -139.4 174.73 10.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.856 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 18.8 m -80.67 155.51 26.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 29.1 t -150.32 143.8 25.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 12.7 p -104.75 13.27 31.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.7 p -163.55 88.24 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.819 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 66.5 mt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.851 0.357 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -93.54 146.99 23.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 9.4 p -150.54 161.3 42.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 2.6 p -153.09 -176.02 5.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.952 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 173' ' ' PHE . . . . . 0.526 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 71.6 m-85 -132.23 33.26 3.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -140.39 139.96 35.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.74 124.04 18.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.427 HD13 ' OH ' ' A' ' 104' ' ' TYR . 11.7 mt 56.34 36.95 28.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 3.2 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 179.92 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 101' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.858 0.361 . . . . 0.0 110.949 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -119.84 125.84 49.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 3.9 m -128.51 149.46 50.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -72.13 79.34 0.95 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.8 p -115.61 128.59 56.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.169 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 13.5 p . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.993 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 49.6 mt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.88 0.371 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 36.3 m -113.94 143.01 45.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.157 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.86 123.6 33.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 71.2 m -81.04 175.45 10.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.429 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.1 OUTLIER -71.02 161.58 77.33 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.581 0.705 . . . . 0.0 110.906 179.898 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.429 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.1 Cg_endo -69.76 -28.87 24.74 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.704 2.27 . . . . 0.0 112.315 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -76.81 -29.24 55.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -76.43 151.78 36.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 16.5 p -147.04 17.64 1.23 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -150.13 153.85 37.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.131 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 58.2 m -107.16 155.25 20.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.846 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 5.2 ttp -129.01 141.35 51.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 27.7 m -131.86 123.06 26.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 86.6 m . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 -179.968 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.822 0.344 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 54.1 p -149.43 152.61 35.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 27.7 m -69.36 152.6 44.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 47.2 t -150.43 154.18 37.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.2 p -110.95 14.52 22.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.861 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.8 p -162.16 88.61 0.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.885 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 45.4 mm . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.816 0.341 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -89.47 149.42 22.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 7.1 p -150.86 160.42 43.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 3.8 p -150.13 -176.05 5.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -133.45 32.21 3.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.22 139.92 37.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.35 123.57 16.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 9.8 mt 56.35 37.06 28.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 4.2 p . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 179.925 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.905 0.384 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -119.68 126.48 51.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 8.0 m -127.92 152.37 47.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -76.12 67.89 2.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 7.3 p -93.18 121.81 34.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.163 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 10.3 p . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.928 179.975 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 55.5 mt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.873 0.368 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 27.7 m -135.03 145.0 47.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.14 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -88.71 123.44 33.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 96.3 m -81.37 -175.66 5.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.568 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 20.4 mmtt -80.9 161.69 62.53 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.569 0.699 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.568 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.7 Cg_endo -69.76 -28.93 24.65 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.742 2.295 . . . . 0.0 112.336 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -75.79 -29.8 58.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -82.23 151.17 26.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 19.5 p -146.15 15.32 1.33 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.566 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -145.96 150.84 36.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 34.8 m -103.35 158.24 16.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -135.68 145.05 46.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' THR . . . . . 0.444 HG23 ' HG3' ' A' ' 149' ' ' ARG . 0.3 OUTLIER -140.66 122.71 15.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 -179.959 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.444 ' HG3' HG23 ' A' ' 130' ' ' THR . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.85 0.357 . . . . 0.0 110.85 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -143.31 168.68 19.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.882 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 6.0 m -76.75 152.04 35.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 37.4 t -149.48 143.98 26.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 19.9 p -96.64 15.73 20.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.9 p -168.76 96.26 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 85.3 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.885 0.374 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -97.48 118.42 33.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 9.6 p -131.94 158.86 40.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 2.0 p -151.32 -175.61 5.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 173' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 64.3 m-85 -132.84 30.1 4.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 3.1 mpp_? -140.52 140.64 35.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -56.93 124.95 20.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 5.9 mt 53.5 38.0 27.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 13.2 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.844 179.91 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.909 0.385 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -118.69 135.72 54.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.865 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.639 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 11.2 m -133.14 142.04 48.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -69.54 85.19 0.43 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.439 HG23 ' O ' ' A' ' 103' ' ' CYS . 1.3 p -121.39 130.52 53.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 13.8 p . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.981 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 57.4 mt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.923 0.392 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 41.1 m -120.69 145.66 47.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.84 123.55 33.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.85 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.639 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 92.7 m -77.62 -178.4 5.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.545 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 9.6 mmtt -81.68 161.03 62.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.566 0.698 . . . . 0.0 110.907 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.545 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.7 Cg_endo -69.75 -29.44 23.92 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.72 2.28 . . . . 0.0 112.308 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -76.11 -25.83 55.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.954 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -84.09 154.44 23.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 19.7 p -147.8 17.85 1.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.158 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.554 ' HB2' ' CE2' ' A' ' 173' ' ' PHE . . . -150.16 153.52 36.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.094 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 64.7 m -104.1 155.55 18.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.2 ttt -131.4 138.13 48.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.8 m -130.28 120.51 24.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.156 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.804 0.335 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 81.0 p -150.08 152.65 35.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 20.8 m -69.57 154.76 41.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 38.1 t -150.26 157.62 43.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 1.7 p -110.65 9.08 22.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 4.9 p -159.62 88.44 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 85.5 mt . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.87 0.366 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -90.63 110.98 22.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 10.1 p -121.77 160.59 24.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 29.4 p -153.65 -170.37 3.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 173' ' ' PHE . . . . . 0.554 ' CE2' ' HB2' ' A' ' 127' ' ' ALA . 74.7 m-85 -138.58 31.81 2.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -134.45 141.4 46.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.819 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.28 123.99 18.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 10.5 mt 53.6 34.15 18.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.944 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 9.5 p . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.914 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.951 0.405 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -117.38 130.43 56.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.565 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 3.8 m -130.04 149.67 51.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -74.45 72.46 1.86 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.8 p -102.36 126.88 49.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.151 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 15.5 p . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.985 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 56.9 mt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.951 0.405 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 30.9 m -123.5 145.17 49.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.01 125.4 34.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.565 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 85.2 m -80.13 -179.43 7.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.546 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 2.5 mttt -83.84 162.47 52.44 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.609 0.719 . . . . 0.0 110.887 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.546 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.9 Cg_endo -69.78 -28.89 24.58 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.676 2.251 . . . . 0.0 112.365 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -73.94 -30.73 62.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -81.71 154.61 25.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 23.5 p -146.84 15.53 1.21 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.15 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.428 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -148.0 157.44 43.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 83.1 m -110.96 153.94 24.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.841 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -126.42 143.12 51.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 2.5 m -137.87 110.17 7.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.116 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 7.3 ttm105 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.84 0.352 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 5.5 m -136.59 160.35 39.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 13.9 m -69.57 153.02 44.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 44.5 t -149.58 147.85 28.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 4.6 p -98.93 13.25 33.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 4.4 p -161.04 91.6 0.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.923 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 5.6 mt . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 120.865 0.364 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -105.92 104.84 14.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 23.1 p -116.6 170.25 8.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 4.7 p -160.8 -174.93 4.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 173' ' ' PHE . . . . . 0.428 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 58.7 m-85 -133.68 31.89 3.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.01 140.53 36.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.67 125.01 21.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 13.9 mt 54.58 36.79 26.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.951 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 3.6 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.411 HD12 ' CA ' ' A' ' 126' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.866 0.365 . . . . 0.0 110.916 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -119.72 126.39 50.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 9.6 m -131.63 150.06 52.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -69.83 85.09 0.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.3 p -126.46 134.33 50.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.133 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 9.3 p . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.962 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 61.9 mt . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.882 0.373 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 25.0 m -110.56 142.78 41.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.74 122.36 33.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 72.2 m -79.99 178.37 8.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.58 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.4 OUTLIER -77.88 163.11 64.95 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.616 0.722 . . . . 0.0 110.901 179.906 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.58 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 54.0 Cg_endo -69.71 -29.26 24.38 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.688 2.259 . . . . 0.0 112.369 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -76.27 -27.56 56.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -85.56 150.0 24.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' THR . . . . . 0.411 ' CA ' HD12 ' A' ' 101' ' ' LEU . 30.3 p -147.42 20.51 1.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.66 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -150.24 144.19 25.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 4.9 m -95.31 156.48 16.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -133.24 141.01 47.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 2.7 m -132.71 144.98 50.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.173 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.825 0.345 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 58.7 m -150.3 154.77 38.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 37.3 m -69.03 151.3 46.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.844 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 34.1 t -147.98 164.74 32.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.872 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.5 p -120.94 7.87 10.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.82 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.1 p -156.02 85.5 1.02 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 4.8 mp . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.881 0.372 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -102.05 117.04 33.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 7.8 p -128.6 158.97 37.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 4.9 p -149.23 -176.98 5.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 173' ' ' PHE . . . . . 0.66 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 61.6 m-85 -134.92 33.7 3.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -141.7 139.37 32.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.93 121.69 11.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 7.7 mt 60.81 36.25 19.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 8.7 p . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.899 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.859 0.361 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.2 mtmm -113.46 130.16 56.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.895 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.607 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 7.6 m -134.41 141.92 46.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -69.93 89.88 0.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.8 p -125.77 128.77 48.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.134 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 21.5 p . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.979 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 57.3 mt . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.927 0.394 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 44.4 m -123.47 144.6 49.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 -89.33 124.36 34.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.607 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 79.0 m -80.41 -179.38 7.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.531 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 1.1 mttp -83.02 161.67 57.1 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.572 0.701 . . . . 0.0 110.947 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.531 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.7 Cg_endo -69.82 -30.13 22.49 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -74.88 -25.87 59.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -83.27 154.67 24.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 22.7 p -147.37 16.8 1.17 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.434 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -150.45 152.91 35.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.104 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 60.4 m -103.27 156.15 17.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 3.3 ttp -132.28 140.88 48.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -131.73 145.93 51.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 64.6 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 13.0 ttt-85 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.855 0.359 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 11.1 p -149.54 152.43 35.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 24.0 m -69.26 156.85 38.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 47.3 t -150.32 161.5 42.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 1.5 p -114.14 14.21 18.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.5 p -163.09 88.97 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.826 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 4.2 t . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 -179.988 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 3.0 mp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.885 0.374 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -111.07 113.85 26.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 21.4 p -122.98 164.6 18.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 4.6 p -155.59 -174.58 5.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 173' ' ' PHE . . . . . 0.434 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 59.4 m-85 -132.63 33.4 3.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 8.8 mtt-85 -141.89 139.96 32.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.06 124.98 21.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 15.0 mt 53.38 37.56 25.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.926 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 4.2 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.916 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.925 0.393 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -120.59 138.48 53.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.692 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 6.4 m -136.29 145.55 45.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -72.05 82.01 0.96 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.0 p -112.68 124.06 51.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.139 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 21.4 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 63.5 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.942 0.401 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 54.4 m -132.66 145.08 50.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.145 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 14.4 mtt85 -89.66 124.14 34.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.692 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 72.3 m -76.1 174.71 9.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.443 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.1 OUTLIER -71.92 161.99 75.77 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.53 0.681 . . . . 0.0 110.96 179.893 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.443 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.5 Cg_endo -69.81 -28.42 25.05 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.674 2.249 . . . . 0.0 112.324 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -76.55 -28.98 56.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -77.85 153.95 32.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 22.9 p -146.58 15.29 1.25 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.461 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -150.67 154.61 37.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 61.4 m -107.09 159.73 16.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.68 146.07 52.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 4.1 m -139.94 114.38 9.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 99.1 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 -179.965 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 26.0 ttm-85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.822 0.344 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 5.0 m -150.05 150.11 31.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 20.6 m -68.0 153.65 43.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 44.8 t -149.93 149.21 30.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 8.3 p -100.16 14.35 31.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.5 p -166.52 94.0 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.967 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 70.4 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.888 0.375 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -131.19 103.02 6.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 12.2 p -113.51 166.31 11.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 4.6 p -154.74 -175.42 5.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 173' ' ' PHE . . . . . 0.461 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 55.4 m-85 -133.93 38.42 3.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -145.88 139.26 26.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.11 123.57 16.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 15.6 mt 56.13 36.93 28.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 1.9 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.942 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 16.6 tpp . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.735 0.302 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.1 125.14 25.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.946 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.36 128.2 53.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 4.0 m -132.69 147.73 52.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -71.33 80.1 0.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.5 p -113.17 130.53 56.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 14.4 p -82.3 176.21 9.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.76 -45.82 67.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.946 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -150.66 159.41 34.4 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.592 0.71 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 131.8 21.94 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.694 2.262 . . . . 0.0 112.353 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.654 ' HB2' ' HB3' ' A' ' 113' ' ' ALA . 0.1 OUTLIER -148.87 162.8 39.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.89 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.559 ' O ' HG12 ' A' ' 146' ' ' VAL . 17.5 p -77.06 -75.74 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 33.6 p -57.11 -41.82 79.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.654 ' HB3' ' HB2' ' A' ' 110' ' ' MET . . . -53.52 102.1 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.7 m -50.82 -25.32 4.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 49.1 t 62.47 76.67 0.36 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 12.3 mmt-85 -148.02 86.73 1.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.5 m -138.27 136.84 36.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 57.6 mt -67.02 115.94 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.14 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 37.6 m -127.6 144.02 51.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.127 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.56 121.87 32.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 88.5 m -80.69 178.36 8.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.427 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.1 OUTLIER -73.44 161.45 78.97 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.603 0.716 . . . . 0.0 110.895 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.427 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.7 Cg_endo -69.7 -29.67 23.75 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.751 2.301 . . . . 0.0 112.388 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -75.81 -30.58 59.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -77.37 148.1 35.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 8.6 p -145.05 14.46 1.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.629 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -146.83 135.89 22.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.081 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 34.9 m -89.92 158.9 17.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.2 ttp -133.47 143.38 48.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.5 m -136.67 124.15 22.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.3 m -89.9 103.39 16.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.554 HD22 ' CE1' ' A' ' 170' ' ' PHE . 7.6 mp -90.34 115.15 27.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.521 HG23 ' CD2' ' A' ' 167' ' ' HIS . 4.2 p -141.47 120.46 10.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 58.5 p -75.4 143.05 42.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 35.8 t -144.29 149.08 17.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.141 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -51.66 140.22 19.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.544 ' HB1' ' HA ' ' A' ' 143' ' ' GLN . . . -100.09 25.67 7.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -89.44 160.64 16.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.505 ' HA ' ' C ' ' A' ' 140' ' ' PRO . 5.3 m-85 -62.15 160.56 30.09 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.672 0.749 . . . . 0.0 110.937 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 139' ' ' TYR . 53.7 Cg_endo -69.72 -19.37 11.22 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.302 -0.099 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -52.86 151.53 4.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -93.29 162.8 13.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.544 ' HA ' ' HB1' ' A' ' 137' ' ' ALA . 5.7 pt20 -73.55 79.67 1.46 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.8 m -154.13 157.43 32.4 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.691 0.758 . . . . 0.0 110.833 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.597 ' HB2' HD12 ' A' ' 181' ' ' LEU . 54.4 Cg_endo -69.71 167.95 22.89 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.677 2.252 . . . . 0.0 112.409 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.559 HG12 ' O ' ' A' ' 111' ' ' THR . 15.7 m -150.85 118.47 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.068 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.71 HG22 HD11 ' A' ' 181' ' ' LEU . 27.0 m -147.85 170.41 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.089 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 22.0 p -132.02 115.95 16.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 -99.87 133.44 44.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 2.4 p -144.53 155.28 43.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 18.1 m -69.28 153.61 43.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 48.0 t -150.52 165.25 33.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.833 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 3.8 p -121.16 13.64 11.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.83 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.8 p -166.33 90.32 0.42 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.64 120.21 14.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 21.3 t -145.9 123.2 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.167 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -100.16 108.57 20.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.073 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 1.3 m -162.9 127.56 3.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.443 ' OD2' ' HB1' ' A' ' 166' ' ' ALA . 27.5 m-20 -75.74 154.33 85.27 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.585 0.707 . . . . 0.0 110.876 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -89.39 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.729 2.286 . . . . 0.0 112.326 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -103.17 -30.52 10.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' SER . . . . . 0.518 ' HA ' ' HB2' ' A' ' 166' ' ' ALA . 2.6 t 67.96 10.29 7.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 21.3 mm -101.17 -17.37 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.131 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.433 ' O ' ' HB3' ' A' ' 165' ' ' ALA . . . -156.37 94.6 0.14 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 164' ' ' GLY . . . 68.5 89.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 111.077 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 166' ' ' ALA . . . . . 0.518 ' HB2' ' HA ' ' A' ' 162' ' ' SER . . . -101.24 80.74 2.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.111 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 167' ' ' HIS . . . . . 0.521 ' CD2' HG23 ' A' ' 133' ' ' VAL . 6.2 m170 -66.47 119.68 12.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.871 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.14 159.15 33.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 4.7 mp -126.33 100.34 6.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.143 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 170' ' ' PHE . . . . . 0.554 ' CE1' HD22 ' A' ' 132' ' ' LEU . 6.3 m-85 -89.19 109.78 20.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.848 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 5.9 p -123.3 159.66 28.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 1.8 p -149.72 -176.11 5.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 173' ' ' PHE . . . . . 0.629 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 69.7 m-85 -131.65 30.31 4.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -140.66 140.05 34.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -56.37 124.79 19.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 9.9 mt 52.69 39.19 28.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 9.1 p -47.7 -26.51 1.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -138.64 121.81 16.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 9.9 t -103.1 33.07 3.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -139.57 148.89 43.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.71 HD11 HG22 ' A' ' 147' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.786 0.327 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.12 124.98 25.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -113.67 129.25 56.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.667 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 8.3 m -133.44 141.16 47.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -69.77 85.99 0.49 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.8 p -118.17 124.53 48.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.121 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 19.4 p -83.89 169.25 15.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.3 mtmp? -100.26 34.4 2.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -140.67 158.44 65.67 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.678 0.751 . . . . 0.0 110.895 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -165.78 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.646 2.231 . . . . 0.0 112.351 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.531 ' HA ' HG23 ' A' ' 148' ' ' THR . 1.0 OUTLIER -66.71 -12.56 58.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 7.4 t -48.12 146.41 2.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.12 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.423 ' O ' ' HB2' ' A' ' 113' ' ' ALA . 0.9 OUTLIER -52.24 118.35 3.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.871 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.423 ' HB2' ' O ' ' A' ' 112' ' ' SER . . . 177.88 136.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.065 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 70.7 p -51.29 102.68 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 14.8 t -98.72 80.47 2.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 46.0 mtp180 -149.47 81.42 1.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 5.4 m -139.05 131.97 29.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 61.1 mt -68.43 115.65 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 46.6 m -123.01 145.38 48.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.3 124.48 34.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.667 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 84.2 m -79.99 -177.47 6.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.543 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 4.8 mttt -84.18 161.67 54.08 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.537 0.684 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.543 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.3 Cg_endo -69.78 -30.38 22.3 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.665 2.243 . . . . 0.0 112.356 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -74.3 -27.84 60.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -80.86 154.12 27.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 19.2 p -146.13 15.55 1.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.179 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.456 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -150.5 155.91 40.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 60.7 m -106.96 155.8 19.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -130.6 141.1 50.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.3 m -132.62 118.56 19.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.17 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 6.8 m -99.04 122.06 41.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.109 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.769 ' HA ' HG12 ' A' ' 147' ' ' VAL . 9.9 tt -122.66 127.93 49.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.96 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 7.6 p -158.43 124.44 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 9.8 t -159.72 135.69 8.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 19.3 m -115.19 -31.01 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -144.99 116.58 8.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -97.13 25.2 5.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.095 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -104.18 163.75 12.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.524 ' HA ' ' C ' ' A' ' 140' ' ' PRO . 5.4 p90 -50.96 157.5 1.38 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.68 0.752 . . . . 0.0 110.904 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 139' ' ' TYR . 53.6 Cg_endo -69.83 -22.1 9.89 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.309 0.008 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -52.17 170.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -87.97 174.4 8.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 13.2 tm0? -99.89 -18.05 17.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 6.1 t -70.26 141.85 89.14 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.68 0.752 . . . . 0.0 110.887 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 103.44 1.16 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.692 2.262 . . . . 0.0 112.351 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 10.5 p -89.9 135.31 26.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.769 HG12 ' HA ' ' A' ' 132' ' ' LEU . 11.5 m -149.32 148.29 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.531 HG23 ' HA ' ' A' ' 110' ' ' MET . 5.9 p -103.84 98.58 8.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.169 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.5 133.5 34.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 37.1 p -145.21 153.59 41.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 18.7 m -69.26 155.88 39.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 45.9 t -150.04 159.92 44.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 1.8 p -113.48 12.54 18.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.8 p -160.85 87.28 0.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.6 t -69.06 105.35 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 9.7 m -150.43 166.33 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.117 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -98.33 111.68 23.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.108 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 10.5 m -154.8 109.59 3.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.427 ' HA ' ' HD2' ' A' ' 160' ' ' PRO . 43.9 t0 -102.35 98.78 11.26 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.572 0.701 . . . . 0.0 110.887 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 160' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 159' ' ' ASP . 53.2 Cg_endo -69.8 -8.12 22.8 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.675 2.25 . . . . 0.0 112.327 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.0 -64.72 1.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.4 t 58.32 20.87 7.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 1.9 pp -69.8 -29.48 40.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.082 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -169.29 25.35 0.11 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.496 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 49.53 31.93 4.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.8 0.333 . . . . 0.0 111.106 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -100.24 5.26 44.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.079 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 31.9 m-70 -99.06 84.67 3.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -83.28 109.04 16.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 3.0 mp -93.92 101.15 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.121 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -100.39 113.02 25.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 18.9 p -121.41 161.32 22.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 2.8 p -150.76 -175.55 5.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 173' ' ' PHE . . . . . 0.456 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 55.3 m-85 -132.74 34.19 3.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 2.5 mpp_? -141.61 139.42 33.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.844 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.1 123.28 15.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 15.3 mt 56.2 37.49 28.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 3.2 p -51.11 -24.92 4.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 32.0 p-10 -143.27 119.74 11.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.28 21.52 12.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.838 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -80.47 149.31 30.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 3.2 tt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 30.8 tpp . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.768 0.318 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.6 124.54 24.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.965 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -118.9 124.23 46.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 8.0 m -128.26 150.35 50.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.855 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -73.3 76.03 1.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.7 p -110.13 131.08 55.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 8.6 p -82.04 -172.19 3.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -74.1 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -149.17 161.92 30.62 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.685 0.755 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 79.56 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.676 2.25 . . . . 0.0 112.38 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 4.4 ptm -104.65 -166.1 1.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.437 HG22 ' H ' ' A' ' 112' ' ' SER . 0.4 OUTLIER -48.68 167.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.125 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.437 ' H ' HG22 ' A' ' 111' ' ' THR . 1.4 t -45.2 123.92 4.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -176.13 137.1 0.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.086 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 43.1 p -50.24 128.2 18.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.466 ' H ' HD21 ' A' ' 181' ' ' LEU . 39.6 t -107.9 63.55 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -132.4 93.43 3.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.1 m -141.84 134.18 27.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 25.7 mt -67.61 109.91 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 32.1 m -122.16 142.72 50.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -90.24 120.39 31.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 94.6 m -80.47 -176.93 5.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.543 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.1 OUTLIER -79.59 161.75 65.71 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.577 0.703 . . . . 0.0 110.901 179.922 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.543 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.8 Cg_endo -69.77 -29.04 24.47 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.704 2.269 . . . . 0.0 112.35 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -75.99 -26.89 57.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.828 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -82.09 150.1 27.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.2 p -146.66 17.22 1.29 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.649 ' HB2' ' CE2' ' A' ' 173' ' ' PHE . . . -149.98 143.44 25.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 11.8 m -97.0 155.11 16.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 5.5 ttp -129.7 139.85 51.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -136.76 133.53 36.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.144 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 52.0 m -113.13 113.91 26.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.445 ' HA ' HG12 ' A' ' 147' ' ' VAL . 2.5 mt -101.62 139.46 37.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.656 ' CG2' HG13 ' A' ' 135' ' ' VAL . 8.9 p -146.57 121.7 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.11 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 26.8 p -101.0 54.46 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.656 HG13 ' CG2' ' A' ' 133' ' ' VAL . 5.8 m -81.45 -33.31 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -163.84 83.85 0.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -100.26 26.06 6.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.079 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -163.33 177.93 8.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.916 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.529 ' HA ' ' C ' ' A' ' 140' ' ' PRO . 20.0 m-85 -47.95 156.11 0.77 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.691 0.758 . . . . 0.0 110.899 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 139' ' ' TYR . 53.3 Cg_endo -69.79 -48.29 0.28 Allowed 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.654 -1.811 . . . . 0.0 112.345 -0.082 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -176.49 171.19 2.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -130.47 145.09 51.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -89.66 10.31 23.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -139.81 161.36 56.67 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.675 0.75 . . . . 0.0 110.866 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -176.28 1.42 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.701 2.267 . . . . 0.0 112.339 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.583 HG22 HG13 ' A' ' 147' ' ' VAL . 8.6 p -89.32 -43.34 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.128 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.583 HG13 HG22 ' A' ' 146' ' ' VAL . 19.7 m -151.51 133.06 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 24.8 p -106.55 104.79 14.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 19.2 ttt85 -91.88 140.16 29.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.837 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 73.2 m -150.21 153.56 36.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.828 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 22.0 m -68.89 147.33 51.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 35.9 t -143.68 162.23 36.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.4 p -120.21 11.39 11.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.8 p -165.17 88.07 0.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.4 t -69.68 106.78 3.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 18.6 t -145.48 151.21 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.175 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -71.76 109.05 5.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 28.3 p -139.43 113.96 9.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -139.53 81.26 20.43 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.636 0.731 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -8.05 22.61 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.656 2.237 . . . . 0.0 112.362 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -70.23 -65.93 0.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.1 t 57.32 23.64 9.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 50.5 mm -69.54 -22.46 25.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.153 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 173.37 32.15 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.505 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 48.44 31.38 2.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 111.098 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -99.98 1.06 42.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.126 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 61.5 m80 -100.43 84.09 2.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 7.0 mp -84.24 129.89 34.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 44.8 mm -105.84 91.57 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.145 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -89.76 111.82 22.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 5.4 p -126.49 159.72 32.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 1.8 p -149.67 -177.38 5.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.823 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 173' ' ' PHE . . . . . 0.649 ' CE2' ' HB2' ' A' ' 127' ' ' ALA . 69.5 m-85 -133.9 32.41 3.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -141.65 139.26 32.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -57.36 121.55 10.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 5.2 mt 59.09 38.02 24.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 8.0 p -48.52 -25.6 1.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -138.9 136.74 35.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 3.8 p -100.04 -13.49 19.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -69.75 173.28 6.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.466 HD21 ' H ' ' A' ' 115' ' ' CYS . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.855 0.359 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.49 123.67 21.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -111.38 132.16 54.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.644 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 38.3 m -131.86 143.95 50.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -74.09 75.73 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 6.8 p -104.35 125.82 50.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.103 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 22.7 p -83.1 152.79 25.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -90.97 7.09 41.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -138.62 76.65 35.37 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.693 0.759 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.449 ' CB ' HG22 ' A' ' 148' ' ' THR . 54.3 Cg_endo -69.77 -2.6 10.46 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.645 2.23 . . . . 0.0 112.361 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -95.41 -43.12 8.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 82.4 p -55.75 125.66 22.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.12 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.02 -4.68 51.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -54.25 -72.78 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.084 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 69.2 p -162.78 -172.74 3.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 48.6 t -157.62 80.52 0.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 -144.71 98.71 3.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 25.0 m -150.71 128.64 11.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 59.5 mt -68.26 115.33 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 53.9 m -127.83 146.07 50.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 -89.17 121.99 32.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.644 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 92.9 m -80.34 -174.57 4.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.553 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.0 OUTLIER -85.78 161.9 49.04 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.577 0.704 . . . . 0.0 110.896 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.553 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.6 Cg_endo -69.82 -30.5 21.91 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.653 2.235 . . . . 0.0 112.335 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -73.95 -27.18 60.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -82.23 152.27 26.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 26.6 p -146.26 15.15 1.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.53 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -150.87 148.14 28.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.078 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 34.6 m -100.97 153.73 19.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -127.87 141.93 51.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.4 m -133.87 131.1 38.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.1 m -102.72 104.19 14.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.179 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.563 HD22 ' N ' ' A' ' 133' ' ' VAL . 1.9 tm? -101.72 120.82 40.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.598 HG12 ' CD2' ' A' ' 167' ' ' HIS . 7.1 m -100.49 100.95 11.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.6 m -75.39 -4.86 41.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.434 HG22 ' HB ' ' A' ' 133' ' ' VAL . 22.8 m -50.14 162.34 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.12 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -51.72 135.42 29.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -178.7 99.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.148 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -129.08 -176.4 3.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.507 ' HA ' ' C ' ' A' ' 140' ' ' PRO . 5.3 m-85 -63.69 160.65 42.72 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.639 0.733 . . . . 0.0 110.924 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 139' ' ' TYR . 53.7 Cg_endo -69.76 -44.92 0.46 Allowed 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.305 -0.035 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -157.44 168.27 27.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -122.07 156.32 33.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -73.86 -25.77 60.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.94 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 3.2 p -90.36 156.32 45.89 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.632 0.729 . . . . 0.0 110.886 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -176.0 1.33 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.682 2.255 . . . . 0.0 112.395 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.945 HG11 HD23 ' A' ' 181' ' ' LEU . 60.1 t -92.39 -71.75 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.143 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.798 HG13 HG12 ' A' ' 146' ' ' VAL . 21.2 m -146.21 146.18 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.449 HG22 ' CB ' ' A' ' 109' ' ' PRO . 2.0 p -112.24 100.19 8.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 28.4 ttt-85 -95.72 125.57 40.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.8 p -140.55 161.6 37.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.859 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 15.2 m -69.66 154.68 41.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 34.9 t -148.69 163.28 37.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.9 p -119.16 10.99 12.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.839 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.2 p -161.84 88.07 0.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.82 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.3 t -68.63 114.51 7.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 26.9 t -141.34 126.95 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.163 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -100.19 109.76 22.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.101 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 77.2 p -150.71 -174.98 4.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -141.93 80.19 15.75 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.61 0.719 . . . . 0.0 110.836 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -8.23 23.07 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.671 2.247 . . . . 0.0 112.325 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -86.27 -47.02 9.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 2.5 p 62.53 16.21 8.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 64.0 mt -72.24 -21.32 20.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.169 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 140.49 36.89 0.11 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 50.79 36.59 14.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.781 0.324 . . . . 0.0 111.095 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -91.92 14.68 14.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.076 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 167' ' ' HIS . . . . . 0.598 ' CD2' HG12 ' A' ' 133' ' ' VAL . 73.1 m80 -153.99 80.74 1.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -74.42 157.88 34.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 3.5 mp -133.85 98.96 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -89.53 145.01 25.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.0 p -150.8 162.13 41.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.935 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 3.5 p -149.67 -175.85 5.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 173' ' ' PHE . . . . . 0.53 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 60.2 m-85 -134.84 30.22 3.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -138.88 140.53 38.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -55.66 123.23 13.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 16.4 mt 52.97 40.37 30.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.955 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 14.5 p -46.99 -27.85 1.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 18.7 p30 -154.57 141.4 19.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 3.1 m -100.8 6.34 43.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -69.77 173.87 5.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.945 HD23 HG11 ' A' ' 146' ' ' VAL . 8.3 mp . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.945 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 3.5 ttm . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.841 0.353 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.23 125.05 28.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.0 mttp -123.16 122.2 37.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 3.3 m -126.6 152.83 46.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -70.84 81.34 0.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.934 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.0 p -107.87 122.57 47.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.155 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' CYS . . . . . 0.471 ' HB3' ' HA ' ' A' ' 115' ' ' CYS . 1.5 p -87.1 162.99 17.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -100.69 34.53 2.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -148.99 154.31 39.46 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.646 0.736 . . . . 0.0 110.878 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -165.76 0.16 Allowed 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.709 2.273 . . . . 0.0 112.327 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.441 ' O ' HG13 ' A' ' 146' ' ' VAL . 0.1 OUTLIER -58.04 -20.35 38.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 81.1 p -48.27 157.44 0.32 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.165 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 41.0 p -51.6 115.14 1.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 179.84 125.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.1 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.5 t -51.47 147.97 5.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.818 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.471 ' HA ' ' HB3' ' A' ' 106' ' ' CYS . 2.8 t -137.52 72.24 1.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -147.9 49.46 1.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.5 m -112.25 130.98 55.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.117 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 74.6 mt -69.13 97.08 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.11 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 46.5 m -105.61 144.65 32.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.159 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.28 124.05 34.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 91.5 m -76.87 -176.4 3.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.534 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 9.0 mttt -81.63 161.27 62.07 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.525 0.678 . . . . 0.0 110.908 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.534 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.4 Cg_endo -69.73 -30.97 21.55 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.677 2.251 . . . . 0.0 112.342 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -75.02 -27.04 59.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -84.09 153.85 23.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 24.6 p -146.55 18.07 1.32 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.149 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -150.42 157.82 43.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.097 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 32.2 m -107.52 161.43 14.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.2 ttt -136.12 142.72 44.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 17.6 m -137.17 116.88 13.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.4 m -101.62 126.26 48.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.835 ' HA ' HG12 ' A' ' 147' ' ' VAL . 10.5 tt -120.13 125.89 49.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 3.5 p -164.2 124.73 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 85.2 m -70.82 127.92 34.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 18.3 m -139.79 178.23 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -93.57 155.37 17.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -177.83 99.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.106 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -56.7 169.28 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.529 ' HA ' ' C ' ' A' ' 140' ' ' PRO . 34.2 m-85 -51.9 157.72 1.96 Allowed Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.689 0.757 . . . . 0.0 110.907 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 139' ' ' TYR . 53.4 Cg_endo -69.78 176.97 30.52 Favored 'Cis proline' 0 C--N 1.341 0.155 0 C-N-CA 122.642 -1.816 . . . . 0.0 112.324 -0.065 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -128.79 169.3 14.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -132.21 166.46 21.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -95.35 35.66 1.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.78 161.19 38.52 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.713 0.768 . . . . 0.0 110.823 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 179.64 3.56 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.712 2.275 . . . . 0.0 112.351 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 110' ' ' MET . 98.3 t -116.39 102.47 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.17 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.835 HG12 ' HA ' ' A' ' 132' ' ' LEU . 27.8 m -141.03 133.15 29.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.17 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.415 HG23 ' HG2' ' A' ' 110' ' ' MET . 2.8 p -95.99 101.62 13.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.162 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 24.6 ttm-85 -90.34 131.0 36.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 72.7 m -147.5 155.78 42.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 18.2 m -69.26 156.08 39.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 42.4 t -150.19 150.44 31.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -108.1 8.58 28.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.8 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 4.7 p -153.85 82.05 1.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.1 t -69.06 110.12 4.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 66.5 t -150.05 144.45 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -93.56 110.99 22.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 4.2 t -148.75 121.87 8.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.167 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.56 95.71 7.68 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.569 0.7 . . . . 0.0 110.848 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -7.61 21.49 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.695 2.263 . . . . 0.0 112.319 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.0 -60.73 1.57 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.857 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 58.29 20.84 7.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 70.4 mt -78.81 -21.44 12.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.178 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 163.2 37.26 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.457 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 50.58 39.15 20.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.795 0.331 . . . . 0.0 111.078 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -91.91 14.84 14.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -147.0 76.34 1.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -75.24 139.75 42.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 45.2 mm -122.86 99.87 7.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.202 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -102.12 114.62 28.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 12.7 p -120.6 164.45 16.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 20.2 p -154.78 -168.63 2.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -141.99 23.94 2.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -132.16 140.36 48.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -56.13 127.75 32.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 4.5 mt 51.14 34.44 11.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 26.9 p -47.36 -33.53 5.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -162.66 -178.81 6.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -174.44 96.53 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.69 -14.09 62.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.819 0.342 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.84 125.34 26.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.7 mtpp -120.1 125.35 48.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 3.8 m -126.19 153.37 44.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.842 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -75.83 75.7 2.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.0 p -110.06 127.43 54.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.109 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 10.7 p -82.65 159.6 22.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.04 17.55 13.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -150.35 68.91 8.75 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.614 0.721 . . . . 0.0 110.881 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 80.89 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.67 2.247 . . . . 0.0 112.336 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 9.6 tpt -173.74 -44.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.547 HG22 ' H ' ' A' ' 113' ' ' ALA . 2.3 m -55.61 130.99 45.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.206 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.1 m -78.27 -13.31 59.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.547 ' H ' HG22 ' A' ' 111' ' ' THR . . . -52.46 -70.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.085 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -163.96 -167.95 1.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.413 ' HB3' HD23 ' A' ' 181' ' ' LEU . 39.5 t -172.44 84.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.4 ' HD3' ' HB2' ' A' ' 179' ' ' SER . 2.9 mmm-85 -142.46 100.57 3.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 22.5 m -150.39 130.46 13.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 59.8 mt -69.37 115.16 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 39.0 m -124.88 143.66 50.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -90.68 123.28 34.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 84.8 m -80.69 -179.32 7.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.558 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.2 OUTLIER -81.84 162.78 56.4 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.614 0.721 . . . . 0.0 110.902 179.896 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.558 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.7 Cg_endo -69.77 -29.94 23.02 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.639 2.226 . . . . 0.0 112.335 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -72.64 -28.14 62.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -84.54 152.59 23.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 11.0 p -145.57 14.89 1.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.502 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -145.46 155.41 43.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.064 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 58.0 m -109.34 155.6 21.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.825 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -129.21 140.27 51.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.8 m -138.87 126.58 22.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 4.8 m -106.06 118.23 36.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.554 HD22 ' N ' ' A' ' 133' ' ' VAL . 1.6 tm? -109.66 118.13 35.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.554 ' N ' HD22 ' A' ' 132' ' ' LEU . 10.1 m -140.3 120.8 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.1 m -69.9 91.71 0.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.538 HG12 ' OE2' ' A' ' 138' ' ' GLU . 16.9 m -101.44 37.74 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -80.89 -19.04 45.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -93.19 18.1 9.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.087 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.538 ' OE2' HG12 ' A' ' 135' ' ' VAL . 9.3 pt-20 -144.35 146.8 32.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.537 ' HA ' ' C ' ' A' ' 140' ' ' PRO . 32.5 p90 -80.54 152.89 73.27 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.676 0.75 . . . . 0.0 110.877 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 139' ' ' TYR . 53.7 Cg_endo -69.7 175.67 35.47 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.33 -0.127 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -112.56 144.82 41.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -147.27 177.18 9.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -80.01 -68.9 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 2.4 m -83.54 160.27 59.47 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.679 0.752 . . . . 0.0 110.865 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.579 ' O ' HD11 ' A' ' 181' ' ' LEU . 54.0 Cg_endo -69.7 173.46 10.89 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.703 2.269 . . . . 0.0 112.342 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 3.1 p -131.99 141.1 46.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 1.027 HG22 HD22 ' A' ' 181' ' ' LEU . 18.9 m -139.54 153.48 23.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.6 p -111.44 98.29 7.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 17.9 ttt85 -92.97 135.16 34.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.5 m -150.26 155.58 39.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 12.4 m -69.15 151.46 46.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 39.5 t -149.92 148.69 29.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 7.1 p -100.95 16.4 25.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.9 p -168.52 94.24 0.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -68.13 123.68 21.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.832 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 26.1 t -146.4 129.58 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' ALA . . . . . 0.543 ' O ' HG23 ' A' ' 158' ' ' THR . . . -140.81 133.42 28.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.055 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.543 HG23 ' O ' ' A' ' 157' ' ' ALA . 0.7 OUTLIER -162.67 113.57 1.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.183 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.94 76.76 33.22 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.629 0.728 . . . . 0.0 110.9 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -7.81 22.0 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.662 2.242 . . . . 0.0 112.358 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.51 -64.41 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.6 t 64.34 15.81 9.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.816 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 10.4 mt -146.95 111.66 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 80.17 102.63 0.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.439 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 59.6 36.82 22.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.755 0.312 . . . . 0.0 111.066 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -100.36 72.81 1.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.103 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -67.03 111.24 3.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -69.98 143.04 52.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.44 ' O ' ' HB2' ' A' ' 157' ' ' ALA . 78.4 mt -122.64 92.87 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -89.72 108.9 19.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 11.6 p -124.14 160.04 28.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 2.9 p -152.16 -175.43 5.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 173' ' ' PHE . . . . . 0.502 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 71.5 m-85 -131.65 23.68 4.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.03 141.83 44.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.23 126.82 27.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.826 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 10.0 mt 51.08 37.6 18.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 31.2 p -42.71 -34.94 0.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -174.33 -175.18 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 179' ' ' SER . . . . . 0.4 ' HB2' ' HD3' ' A' ' 116' ' ' ARG . 0.5 OUTLIER -166.29 93.0 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.852 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -68.21 -17.51 64.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 1.027 HD22 HG22 ' A' ' 147' ' ' VAL . 9.9 tp . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.86 0.362 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.16 124.27 24.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.17 132.13 56.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.418 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 8.7 m -135.36 145.91 47.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -69.82 85.62 0.49 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.7 p -116.7 123.4 47.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.174 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' CYS . . . . . 0.404 ' HB3' ' HA ' ' A' ' 115' ' ' CYS . 8.3 p -84.83 -176.0 6.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 6.2 tptt -79.48 -62.89 1.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.952 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -131.3 160.39 67.35 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.639 0.733 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 108.69 2.14 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.711 2.274 . . . . 0.0 112.328 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.613 ' HB2' ' HB3' ' A' ' 113' ' ' ALA . 39.2 mmm -142.2 146.27 35.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.732 HG22 ' CG2' ' A' ' 146' ' ' VAL . 41.6 p -80.36 -51.45 8.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.2 t -71.66 -14.06 61.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.613 ' HB3' ' HB2' ' A' ' 110' ' ' MET . . . -95.04 93.45 7.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.078 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.1 t -48.58 104.12 0.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.572 ' HB3' HD21 ' A' ' 181' ' ' LEU . 30.9 t -76.36 66.16 2.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.662 ' HG3' HD23 ' A' ' 181' ' ' LEU . 1.4 mtt180 -135.81 51.99 2.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.7 m -105.77 130.75 53.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.167 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 82.9 mt -68.91 119.88 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 47.7 m -128.15 144.85 51.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.8 mtt180 -89.31 124.25 34.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.837 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.418 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 85.6 m -79.41 -179.9 7.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.565 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 4.9 mttm -80.91 162.4 59.96 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.61 0.719 . . . . 0.0 110.893 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.565 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.6 Cg_endo -69.78 -29.64 23.45 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.717 2.278 . . . . 0.0 112.334 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -74.02 -26.91 60.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -84.65 152.7 23.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 28.5 p -147.04 15.58 1.18 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.646 ' HB2' ' CE2' ' A' ' 173' ' ' PHE . . . -150.89 143.62 24.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.086 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 46.3 m -91.36 165.72 13.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -142.36 142.05 32.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 2.6 m -131.04 151.57 51.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.19 124.85 31.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.14 105.32 5.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.967 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.616 ' O ' HG23 ' A' ' 134' ' ' THR . 7.0 p -100.83 -43.63 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.616 HG23 ' O ' ' A' ' 133' ' ' VAL . 0.7 OUTLIER -166.43 179.27 5.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.439 HG12 ' CB ' ' A' ' 145' ' ' PRO . 4.0 m -121.47 89.67 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.14 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.9 112.92 0.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -100.49 24.25 9.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.088 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -105.64 135.06 47.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.526 ' HA ' ' C ' ' A' ' 140' ' ' PRO . 24.2 p90 -80.25 153.99 74.44 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.683 0.754 . . . . 0.0 110.948 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 139' ' ' TYR . 54.1 Cg_endo -69.69 147.88 85.4 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.715 -1.785 . . . . 0.0 112.375 -0.161 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -174.99 179.57 1.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -122.87 -177.44 3.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -78.98 -3.03 42.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.942 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.3 t -91.54 152.88 43.93 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.689 0.757 . . . . 0.0 110.867 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.457 ' HG2' HD12 ' A' ' 181' ' ' LEU . 54.4 Cg_endo -69.73 -169.82 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.695 2.264 . . . . 0.0 112.381 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.732 ' CG2' HG22 ' A' ' 111' ' ' THR . 77.5 t -127.14 107.93 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.715 HG22 HD13 ' A' ' 181' ' ' LEU . 11.9 m -147.81 137.33 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 14.9 p -104.95 122.56 46.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.096 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -108.94 136.63 48.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 16.4 p -147.71 155.39 41.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 19.5 m -69.45 156.26 39.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.927 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 33.8 t -150.17 164.42 35.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.9 p -119.35 8.18 11.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.8 p -161.24 87.25 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.7 t -69.13 105.19 2.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 12.6 p -150.51 148.45 15.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -71.53 106.89 4.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.063 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 7.0 m -88.91 89.25 7.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.182 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -155.75 77.35 4.67 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.638 0.732 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -87.35 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.698 2.265 . . . . 0.0 112.299 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -98.71 1.37 46.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 162' ' ' SER . . . . . 0.493 ' HA ' ' HB2' ' A' ' 166' ' ' ALA . 3.9 t 65.42 18.93 11.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 163' ' ' ILE . . . . . 0.435 HG22 ' O ' ' A' ' 163' ' ' ILE . 17.5 mt -100.61 46.5 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.134 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 162.38 99.15 0.14 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.537 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 50.14 68.48 0.75 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.753 0.311 . . . . 0.0 111.122 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 166' ' ' ALA . . . . . 0.493 ' HB2' ' HA ' ' A' ' 162' ' ' SER . . . -100.38 37.91 1.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.062 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -71.06 -170.02 0.42 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.84 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.19 115.69 28.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 2.5 mp -101.94 114.79 42.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.149 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -109.02 107.8 18.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 7.0 p -119.16 164.3 15.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 4.9 p -156.4 -175.58 5.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 173' ' ' PHE . . . . . 0.646 ' CE2' ' HB2' ' A' ' 127' ' ' ALA . 84.2 m-85 -131.92 36.06 3.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.813 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -140.69 140.72 34.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.34 122.6 14.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 14.5 mt 57.17 35.11 25.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 1.8 p -51.88 -24.76 6.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.895 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -142.14 116.56 9.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 14.9 p -100.71 4.99 43.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -83.13 153.96 24.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.715 HD13 HG22 ' A' ' 147' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.842 0.353 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.67 125.13 25.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.936 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 21.0 mtmt -121.55 137.33 54.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.421 ' O ' HG23 ' A' ' 105' ' ' THR . 5.9 m -138.0 146.17 42.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -69.69 87.13 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 103' ' ' CYS . 2.2 p -119.86 126.84 51.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.156 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 12.6 p -82.95 159.57 22.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -95.71 -4.35 44.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -131.49 70.3 81.64 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.675 0.75 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.433 ' HB3' HG22 ' A' ' 148' ' ' THR . 53.6 Cg_endo -69.77 69.26 1.66 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.679 2.253 . . . . 0.0 112.343 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 3.6 mmt -151.04 -56.79 0.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 11.8 t -57.99 147.84 27.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.142 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.4 ' HA ' ' HA ' ' A' ' 145' ' ' PRO . 1.4 t -82.02 8.31 10.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -64.72 -159.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.049 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.9 m -58.9 -63.35 1.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.834 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 1.5 t 65.78 44.36 2.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.482 ' NE ' HH12 ' A' ' 149' ' ' ARG . 1.9 mmt-85 -137.76 97.19 3.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.5 m -130.11 143.65 50.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.17 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 59.8 mt -68.43 118.58 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.179 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 38.8 m -130.92 146.01 52.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.96 123.06 32.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 89.1 m -78.7 -177.56 5.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.566 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 15.2 mmtt -82.1 161.66 59.53 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.618 0.723 . . . . 0.0 110.899 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.566 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.6 Cg_endo -69.76 -29.34 24.02 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.71 2.273 . . . . 0.0 112.343 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -74.68 -27.7 60.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -81.58 152.91 26.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 17.2 p -146.24 14.87 1.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.545 ' HB2' ' CE2' ' A' ' 173' ' ' PHE . . . -150.35 153.51 36.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.129 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 49.5 m -103.8 159.36 15.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 2.5 ttt -135.52 138.9 43.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 2.6 m -130.9 149.21 52.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.125 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -127.5 115.35 18.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.176 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.564 HD11 ' CD2' ' A' ' 170' ' ' PHE . 1.3 mt -105.6 107.49 18.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.594 HG22 HG22 ' A' ' 135' ' ' VAL . 2.6 p -101.13 100.11 9.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.155 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 10.0 t -100.15 39.4 1.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.594 HG22 HG22 ' A' ' 133' ' ' VAL . 29.8 m -66.42 -39.38 83.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -154.83 84.37 1.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -100.46 25.5 7.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.07 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -76.57 157.23 32.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.522 ' HA ' ' C ' ' A' ' 140' ' ' PRO . 2.6 p90 -80.62 157.79 71.82 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.655 0.741 . . . . 0.0 110.951 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 139' ' ' TYR . 53.8 Cg_endo -69.72 -48.87 0.25 Allowed 'Cis proline' 0 C--O 1.231 0.155 0 C-N-CA 122.724 -1.782 . . . . 0.0 112.344 -0.071 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -160.62 -175.57 5.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -128.33 158.06 39.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -69.91 -25.96 63.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 2.0 m -82.29 160.4 62.6 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.644 0.735 . . . . 0.0 110.831 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.4 ' HA ' ' HA ' ' A' ' 112' ' ' SER . 53.8 Cg_endo -69.7 175.37 8.14 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.668 2.245 . . . . 0.0 112.37 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.85 HG12 HG13 ' A' ' 147' ' ' VAL . 41.6 t -89.63 -64.41 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.85 HG13 HG12 ' A' ' 146' ' ' VAL . 6.4 m -147.95 137.18 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.166 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.433 HG22 ' HB3' ' A' ' 109' ' ' PRO . 1.4 p -107.75 116.33 31.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.482 HH12 ' NE ' ' A' ' 116' ' ' ARG . 5.1 ttm105 -106.17 134.52 49.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.1 m -145.58 157.99 43.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.823 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 12.4 m -69.68 152.39 44.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 45.8 t -145.82 148.4 32.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 12.3 p -103.05 13.72 33.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.8 p -170.15 93.07 0.22 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.2 t -68.58 106.84 2.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 14.0 t -145.66 154.6 13.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.068 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -70.16 102.47 2.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 19.3 m -100.47 93.0 5.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.141 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -139.51 79.89 23.56 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.55 0.69 . . . . 0.0 110.844 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -8.67 24.2 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.327 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -75.05 -59.02 2.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.1 t 65.62 20.13 11.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.804 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 11.3 mt -146.42 111.8 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 97.08 -29.91 9.9 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 48.77 34.28 5.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.832 0.349 . . . . 0.0 111.105 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -74.36 -18.36 60.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -99.99 91.73 4.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 168' ' ' LEU . . . . . 0.458 HD22 ' N ' ' A' ' 168' ' ' LEU . 1.7 mm? -85.25 128.41 34.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 3.8 mp -110.64 112.92 42.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.134 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 170' ' ' PHE . . . . . 0.564 ' CD2' HD11 ' A' ' 132' ' ' LEU . 10.8 m-85 -109.99 114.07 27.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.8 p -124.62 157.31 35.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.849 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 3.8 p -149.86 -175.63 5.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 173' ' ' PHE . . . . . 0.545 ' CE2' ' HB2' ' A' ' 127' ' ' ALA . 78.1 m-85 -133.3 32.44 3.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -140.96 139.76 34.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.93 126.33 25.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 6.4 mt 50.78 38.41 19.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 6.2 p -49.02 -25.3 1.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -138.94 163.3 32.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 1.9 t -171.48 92.34 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -140.07 154.89 47.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 2.3 tt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.967 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.2 ptm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.833 0.349 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.44 124.0 24.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.71 131.94 56.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 13.4 m -130.49 148.54 52.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -72.88 76.56 1.16 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.6 p -109.54 126.39 53.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.185 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 7.6 p -83.57 175.41 9.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.97 -45.33 67.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -150.44 160.5 32.81 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.644 0.735 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 132.49 23.42 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.687 2.258 . . . . 0.0 112.369 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.692 ' HB3' ' HB3' ' A' ' 113' ' ' ALA . 3.6 ttp -154.99 164.48 38.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.845 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.645 ' HA ' HG12 ' A' ' 146' ' ' VAL . 23.2 p -80.76 -74.58 0.31 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.1 p -50.18 -50.71 48.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.692 ' HB3' ' HB3' ' A' ' 110' ' ' MET . . . -51.49 102.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.703 ' O ' HD11 ' A' ' 181' ' ' LEU . 1.1 t -51.61 -24.24 5.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 42.3 t 63.91 71.05 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.432 ' HG3' HD21 ' A' ' 181' ' ' LEU . 33.6 mmm-85 -143.3 68.6 1.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.7 m -115.88 133.96 55.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 68.0 mt -68.04 106.72 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 40.3 m -117.95 144.05 45.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -88.81 124.23 33.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 96.3 m -80.21 -177.3 6.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.54 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 11.8 mttt -82.1 161.89 58.75 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.547 0.689 . . . . 0.0 110.927 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.54 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.3 Cg_endo -69.78 -30.88 21.49 Favored 'Trans proline' 0 C--N 1.34 0.119 0 C-N-CA 122.695 2.263 . . . . 0.0 112.315 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -73.39 -29.22 62.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -80.16 153.06 28.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 23.0 p -146.76 17.33 1.27 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.56 ' HB2' ' CE2' ' A' ' 173' ' ' PHE . . . -150.63 155.94 40.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 84.5 m -104.69 160.53 14.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.3 ttt -137.28 141.24 41.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.4 m -133.94 147.61 51.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.1 m -119.84 105.49 11.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.157 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.497 HD13 ' C ' ' A' ' 132' ' ' LEU . 3.0 tm? -96.83 109.12 21.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 4.3 m -149.46 107.68 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 3.0 m -87.66 118.73 27.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 42.5 t -106.61 -70.36 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -152.44 150.24 29.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -178.92 101.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.08 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -151.82 168.93 23.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.927 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.498 ' HA ' ' C ' ' A' ' 140' ' ' PRO . 5.8 m-85 -53.98 160.86 2.03 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.679 0.752 . . . . 0.0 110.928 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 139' ' ' TYR . 53.7 Cg_endo -69.78 -20.05 10.97 Favored 'Cis proline' 0 C--O 1.231 0.163 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.307 -0.031 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -52.79 151.21 4.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -111.15 31.33 6.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.833 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -86.28 174.19 9.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' SER . . . . . 0.498 ' N ' ' HD2' ' A' ' 145' ' ' PRO . 1.1 m 179.83 -60.26 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.662 0.744 . . . . 0.0 110.88 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 144' ' ' SER . 53.8 Cg_endo -69.69 95.69 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.703 2.269 . . . . 0.0 112.364 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.645 HG12 ' HA ' ' A' ' 111' ' ' THR . 4.7 m -112.36 91.03 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.113 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.403 HG12 ' HA ' ' A' ' 132' ' ' LEU . 9.1 m -146.47 141.76 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 39.7 p -109.13 119.18 38.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 8.4 ttm105 -107.53 135.93 48.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 72.1 p -148.34 157.46 43.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 16.2 m -69.75 154.11 42.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 36.5 t -149.61 153.13 36.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.833 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 1.5 p -109.78 6.8 23.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.828 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 4.2 p -157.61 86.29 0.92 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -68.73 115.18 7.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.832 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.402 HG22 ' N ' ' A' ' 157' ' ' ALA . 8.6 p -150.51 157.34 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 157' ' ' ALA . . . . . 0.402 ' N ' HG22 ' A' ' 156' ' ' VAL . . . -93.37 111.37 23.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.114 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.457 ' O ' HG23 ' A' ' 158' ' ' THR . 2.4 t -85.66 93.98 8.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -138.94 80.35 24.6 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.578 0.704 . . . . 0.0 110.887 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -86.85 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.657 2.238 . . . . 0.0 112.398 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.53 -35.02 72.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.834 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 8.6 t 58.0 23.67 10.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.842 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 69.3 mt -69.08 -20.99 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.13 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -130.35 -38.34 0.31 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 48.9 36.68 8.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.771 0.319 . . . . 0.0 111.105 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -80.64 -16.93 52.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.05 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -100.78 85.8 2.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -79.68 115.64 19.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 44.0 mm -97.82 120.57 47.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -113.02 109.23 18.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 9.6 p -119.46 165.51 14.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 21.1 p -161.76 -169.26 2.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 173' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 127' ' ' ALA . 54.4 m-85 -138.94 32.01 2.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -130.65 141.74 50.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.27 119.55 10.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 13.1 mt 61.99 28.85 17.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 2.8 p -55.44 -25.58 37.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -102.5 87.26 2.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -94.62 25.74 3.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -151.38 156.6 41.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.703 HD11 ' O ' ' A' ' 114' ' ' SER . 4.1 mm? . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.849 0.357 . . . . 0.0 110.838 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.42 HD12 ' N ' ' A' ' 127' ' ' ALA . 0.0 OUTLIER -80.75 120.59 24.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.75 122.89 42.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 8.5 m -133.29 145.71 50.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -72.58 76.76 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.6 p -111.89 128.35 56.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 11.2 p -82.94 -175.02 5.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -68.14 -65.7 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -130.84 157.91 76.51 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.659 0.742 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.751 ' HB3' HG21 ' A' ' 148' ' ' THR . 53.7 Cg_endo -69.78 91.21 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.687 2.258 . . . . 0.0 112.301 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -105.73 132.51 51.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.889 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.735 ' HA ' HG23 ' A' ' 146' ' ' VAL . 18.3 p -52.28 -75.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.126 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 97.4 p -80.5 92.97 5.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -178.15 132.11 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 51.1 p -52.89 -36.98 60.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 49.7 t 51.28 64.41 1.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 6.9 mmt-85 -140.22 95.68 2.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.921 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 41.9 m -141.88 135.09 29.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 57.7 mt -68.57 103.75 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.1 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 24.3 m -112.49 142.56 44.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 -89.36 122.52 32.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 82.3 m -81.36 -174.82 5.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.559 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.1 OUTLIER -83.11 162.29 54.92 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.587 0.708 . . . . 0.0 110.906 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.559 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.9 Cg_endo -69.71 -29.36 24.22 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.689 2.26 . . . . 0.0 112.357 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -74.94 -26.3 59.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -83.07 149.49 26.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 15.7 p -145.25 15.65 1.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.152 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.42 ' N ' HD12 ' A' ' 101' ' ' LEU . . . -150.5 141.68 23.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 60.9 m -91.46 165.13 13.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 5.3 ttp -140.86 144.53 35.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.4 m -136.26 155.14 50.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.126 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 10.0 m -131.89 125.54 31.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.743 ' HA ' HG12 ' A' ' 147' ' ' VAL . 9.8 tt -123.66 119.3 29.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 5.8 m -139.87 116.63 9.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 73.8 p -146.92 124.58 11.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.114 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 94.3 t -122.56 -38.16 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -132.0 -170.36 2.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -175.29 99.04 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -163.57 164.99 24.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.523 ' HA ' ' C ' ' A' ' 140' ' ' PRO . 2.0 p90 -50.67 157.17 1.36 Allowed Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.682 0.753 . . . . 0.0 110.919 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 139' ' ' TYR . 53.2 Cg_endo -69.84 -17.61 12.03 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.323 0.029 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -51.36 152.45 2.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -121.61 176.33 5.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.905 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -69.41 110.54 4.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.7 m -175.87 161.25 2.0 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.689 0.757 . . . . 0.0 110.857 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.574 ' HB3' HD23 ' A' ' 181' ' ' LEU . 54.2 Cg_endo -69.7 145.31 57.09 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.709 2.273 . . . . 0.0 112.344 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.735 HG23 ' HA ' ' A' ' 111' ' ' THR . 7.7 p -130.96 34.23 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.142 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.743 HG12 ' HA ' ' A' ' 132' ' ' LEU . 18.8 m -105.35 133.72 48.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.751 HG21 ' HB3' ' A' ' 109' ' ' PRO . 7.7 p -99.04 165.36 11.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.169 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 12.5 ttt180 -143.28 136.36 27.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.1 m -146.43 157.46 43.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.838 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 16.7 m -69.81 155.97 39.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 37.1 t -150.87 163.17 39.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 3.3 p -120.79 7.27 10.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.5 p -160.51 86.76 0.74 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.824 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.1 t -68.79 110.33 4.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 21.7 t -145.75 150.21 15.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' ALA . . . . . 0.426 ' O ' HG23 ' A' ' 158' ' ' THR . . . -90.21 108.92 20.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.089 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.426 HG23 ' O ' ' A' ' 157' ' ' ALA . 0.8 OUTLIER -158.05 108.94 2.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.175 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.99 114.46 33.06 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.585 0.707 . . . . 0.0 110.881 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -7.78 21.93 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.711 2.274 . . . . 0.0 112.327 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -92.98 -45.55 7.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.859 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.2 t 60.01 19.5 8.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.833 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 42.0 mm -87.67 -21.8 7.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.075 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 162.35 36.56 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.485 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 50.55 35.16 10.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.793 0.33 . . . . 0.0 111.092 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -79.66 -16.16 56.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -100.46 93.39 5.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -77.21 123.11 25.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 4.2 mp -107.61 108.69 25.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.104 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -103.09 108.48 19.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 9.0 p -122.8 157.54 32.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 3.5 p -149.79 -176.79 5.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -129.66 29.72 4.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -137.26 139.57 41.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.49 124.4 19.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 10.0 mt 54.39 36.64 25.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 2.8 p -50.16 -25.33 3.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -139.49 114.09 9.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 5.3 t -100.71 25.4 7.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.817 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -140.76 138.89 34.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.675 HD13 ' H ' ' A' ' 181' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.928 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 4.4 ttp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.81 0.338 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.446 HD12 ' CA ' ' A' ' 126' ' ' THR . 0.0 OUTLIER -72.03 122.49 20.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.953 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -119.14 123.04 43.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 33.0 m -118.96 151.53 38.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -76.28 76.82 3.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.952 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.6 p -110.18 123.83 50.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 9.8 p -83.91 163.65 19.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.84 -73.6 0.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -94.62 153.42 40.23 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.622 0.725 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 95.95 0.58 Allowed 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.654 2.236 . . . . 0.0 112.346 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -153.15 91.22 1.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.421 ' HB ' HG23 ' A' ' 146' ' ' VAL . 11.2 m -77.28 -16.21 59.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 84.3 p -50.49 -30.91 13.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -123.13 -164.1 1.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.083 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 21.8 m -68.07 88.69 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 1.7 t -93.1 34.21 1.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.58 84.5 2.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.5 m -104.53 143.46 33.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 62.7 mt -68.4 97.65 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 48.2 m -109.35 142.68 39.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.166 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.37 119.2 29.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 79.1 m -80.35 175.12 10.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.422 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 8.4 mtmm -69.22 162.26 67.12 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.608 0.718 . . . . 0.0 110.877 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.422 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.8 Cg_endo -69.78 -28.69 24.87 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.681 2.254 . . . . 0.0 112.312 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -78.69 -29.98 45.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -74.46 148.02 41.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.446 ' CA ' HD12 ' A' ' 101' ' ' LEU . 14.3 p -145.9 15.98 1.39 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -151.05 144.17 24.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.111 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 17.1 m -92.21 158.59 16.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 2.0 ttt -134.04 146.52 50.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.7 m -138.25 142.51 39.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.171 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.3 m -111.43 103.6 11.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.156 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.594 ' HA ' HG12 ' A' ' 147' ' ' VAL . 13.7 tp -104.39 104.49 14.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.668 HG13 ' O ' ' A' ' 166' ' ' ALA . 27.8 t -142.12 113.09 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 11.9 t -160.48 148.38 16.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 21.8 t -107.72 -27.85 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.159 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -134.81 168.39 19.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -172.46 97.91 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -157.63 154.85 29.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.519 ' HA ' ' C ' ' A' ' 140' ' ' PRO . 23.8 m-85 -70.76 158.72 87.35 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.735 0.779 . . . . 0.0 110.884 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 139' ' ' TYR . 53.3 Cg_endo -69.81 176.43 32.76 Favored 'Cis proline' 0 C--N 1.342 0.224 0 C-N-CA 122.629 -1.821 . . . . 0.0 112.335 -0.024 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -50.56 164.39 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -111.25 138.25 47.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 11.9 tm0? -74.71 -24.64 58.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 3.6 m -86.74 157.91 54.42 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.693 0.759 . . . . 0.0 110.88 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 167.49 24.32 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.676 2.251 . . . . 0.0 112.334 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.575 HG12 HG13 ' A' ' 147' ' ' VAL . 49.3 t -124.45 -45.53 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.12 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.594 HG12 ' HA ' ' A' ' 132' ' ' LEU . 8.8 m -146.55 151.97 13.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 6.6 p -128.27 126.18 40.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -103.55 131.93 50.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.3 m -141.93 156.62 45.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.831 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 32.4 m -68.68 155.29 40.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 47.1 t -150.36 159.51 44.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.3 p -116.54 16.55 15.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.8 p -169.09 91.61 0.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.6 t -69.18 107.51 3.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 21.6 t -145.01 150.3 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -86.49 107.93 18.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.412 ' O ' HG23 ' A' ' 158' ' ' THR . 1.8 t -100.59 92.14 4.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.137 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -136.71 83.08 30.81 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.604 0.716 . . . . 0.0 110.883 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -7.65 21.6 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.674 2.249 . . . . 0.0 112.34 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -86.32 -58.56 2.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.897 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.2 t 64.56 17.28 10.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 10.5 mt -146.69 112.32 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.119 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 98.54 -21.11 47.64 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.469 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 49.44 39.33 16.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.841 0.353 . . . . 0.0 111.08 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 166' ' ' ALA . . . . . 0.668 ' O ' HG13 ' A' ' 133' ' ' VAL . . . -74.71 -5.75 44.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 65.7 m80 -139.54 90.54 2.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 168' ' ' LEU . . . . . 0.517 ' C ' HD12 ' A' ' 169' ' ' ILE . 0.3 OUTLIER -97.95 153.66 18.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.517 HD12 ' C ' ' A' ' 168' ' ' LEU . 5.3 mp -143.4 110.93 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.174 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -98.31 147.36 24.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.3 p -151.17 158.77 44.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 28.8 p -150.18 178.71 8.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -131.97 35.25 3.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 9.2 mmt180 -139.07 137.52 36.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.32 120.74 9.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 14.4 mt 61.18 33.07 19.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 11.9 p -50.1 -26.23 4.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -101.55 67.19 1.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 75.3 p -94.89 32.92 1.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -84.74 -14.89 46.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.497 HD13 ' C ' ' A' ' 181' ' ' LEU . 3.3 tm? . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.4 ptp . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.839 0.352 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.77 124.18 24.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -114.78 126.83 55.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 7.1 m -131.1 145.5 52.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -71.4 81.19 0.77 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.8 p -113.55 125.51 54.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.118 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 18.1 p -83.14 156.0 23.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.7 pttt -97.77 18.16 16.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -150.16 77.77 8.18 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.652 0.739 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 93.22 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.677 2.251 . . . . 0.0 112.371 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 2.6 ptt? -128.94 -173.36 2.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 21.4 p -74.66 -74.45 0.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.144 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 98.2 p -78.99 95.59 5.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -175.08 128.51 0.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.113 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.0 m -59.88 -36.13 76.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.825 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 42.1 t 57.23 76.46 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 10.1 mtm180 -145.75 97.57 2.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.863 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 24.3 m -150.58 132.49 15.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 61.2 mt -68.46 110.13 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 34.6 m -118.64 143.87 46.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.124 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 17.5 mtt180 -89.5 123.49 33.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 97.7 m -80.65 -178.69 6.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.538 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 1.2 mttt -80.72 161.8 62.59 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.593 0.711 . . . . 0.0 110.854 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.538 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.5 Cg_endo -69.76 -28.96 24.6 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.692 2.261 . . . . 0.0 112.337 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -75.33 -29.29 59.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -80.64 152.35 28.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 15.3 p -146.66 16.54 1.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.478 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -149.24 151.53 34.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.141 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 57.0 m -103.29 156.3 17.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.3 ttt -131.95 139.24 48.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 20.3 m -128.2 138.77 52.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.124 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' THR . . . . . 0.494 ' O ' HG12 ' A' ' 147' ' ' VAL . 97.5 m -117.24 129.14 55.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.194 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.622 ' HA ' HG12 ' A' ' 147' ' ' VAL . 19.5 tp -127.99 126.9 42.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 30.0 m -140.45 -174.65 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.163 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 13.7 p -70.17 132.01 45.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.954 HG12 HG12 ' A' ' 146' ' ' VAL . 18.0 m -70.48 160.65 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -113.49 154.02 27.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -99.99 28.03 5.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.064 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -90.14 157.76 17.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.535 ' HA ' ' C ' ' A' ' 140' ' ' PRO . 16.9 p90 -80.08 153.44 74.72 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.696 0.76 . . . . 0.0 110.887 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 139' ' ' TYR . 53.7 Cg_endo -69.74 175.43 36.54 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.37 -0.077 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -97.9 151.61 20.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -164.56 152.8 12.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.896 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -98.71 12.17 36.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.1 m -100.47 154.96 36.9 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.712 0.768 . . . . 0.0 110.836 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.615 ' CD ' HD23 ' A' ' 181' ' ' LEU . 54.1 Cg_endo -69.69 -169.46 0.33 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.658 2.239 . . . . 0.0 112.39 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.954 HG12 HG12 ' A' ' 135' ' ' VAL . 3.4 p -145.45 112.7 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.156 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.622 HG12 ' HA ' ' A' ' 132' ' ' LEU . 1.5 m -146.02 132.63 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.137 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -99.39 104.49 16.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -94.68 136.87 34.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 25.4 m -148.27 156.08 42.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 13.2 m -69.39 152.76 44.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 42.3 t -149.02 150.5 32.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 10.3 p -103.71 15.17 29.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.82 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.0 p -166.43 92.51 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.836 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.6 t -67.89 107.56 2.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 59.9 t -149.81 143.73 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -71.16 -173.94 0.92 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.09 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.412 ' HB ' HD13 ' A' ' 169' ' ' ILE . 1.6 m -150.44 116.91 5.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.132 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -147.02 80.11 9.63 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.597 0.713 . . . . 0.0 110.905 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -87.04 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.694 2.263 . . . . 0.0 112.34 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -74.23 -24.26 59.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 2.6 p 62.32 17.42 9.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 22.7 mt -100.31 89.04 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.114 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 116.0 -36.42 3.84 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.488 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 49.51 34.79 7.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.757 0.313 . . . . 0.0 111.11 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -69.85 -17.09 63.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -100.01 94.23 6.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.35 132.82 37.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.412 HD13 ' HB ' ' A' ' 158' ' ' THR . 5.1 mp -122.65 121.33 63.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.157 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -117.59 113.42 21.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 16.2 p -121.76 162.67 20.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 2.7 p -152.86 -175.29 5.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 173' ' ' PHE . . . . . 0.478 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 55.7 m-85 -132.8 33.6 3.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 18.5 mtt180 -141.21 140.19 33.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.83 121.64 12.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 15.1 mt 58.99 36.29 24.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 2.4 p -50.97 -25.03 4.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 32.4 p30 -157.01 149.87 23.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 1.4 t -139.31 73.99 1.45 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -69.95 161.12 30.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.615 HD23 ' CD ' ' A' ' 145' ' ' PRO . 18.8 tp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 11.3 ttm . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.814 0.34 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.81 124.43 23.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -119.18 124.48 46.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 5.0 m -129.2 147.18 51.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.427 ' OH ' HD13 ' A' ' 176' ' ' LEU . 35.9 m-85 -72.0 80.6 0.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.985 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.5 p -111.44 127.18 55.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.146 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 16.3 p -82.79 177.16 8.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.69 -66.19 0.62 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -130.43 160.44 65.9 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.654 0.74 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 149.56 67.15 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.366 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.62 ' HB3' ' HB3' ' A' ' 113' ' ' ALA . 0.0 OUTLIER -175.59 163.85 2.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 16.5 p -80.12 -72.97 0.38 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.6 t -50.16 -48.69 53.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.843 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.62 ' HB3' ' HB3' ' A' ' 110' ' ' MET . . . -52.1 102.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.131 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.0 m -52.6 -23.86 7.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 45.1 t 62.77 79.45 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 27.3 mmm-85 -150.34 95.96 2.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 11.4 m -149.01 134.23 18.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 60.1 mt -67.91 117.54 9.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.117 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 36.9 m -128.63 143.17 50.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.24 123.48 34.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 74.9 m -80.85 177.05 9.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.427 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 12.8 mtmt -69.93 161.91 71.99 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.589 0.709 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.427 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.3 Cg_endo -69.81 -28.94 24.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.342 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -77.83 -28.46 50.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.38 147.87 32.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 14.1 p -143.67 13.08 1.71 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.176 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.526 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -140.54 155.36 46.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.089 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 65.5 m -109.26 157.38 18.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.3 ttt -130.74 146.56 52.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 3.2 m -139.32 118.96 13.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -98.09 125.38 43.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.604 ' HA ' HG12 ' A' ' 147' ' ' VAL . 23.7 tp -128.73 120.79 27.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.933 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.432 HG13 HG22 ' A' ' 134' ' ' THR . 7.4 p -100.34 -39.92 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.432 HG22 HG13 ' A' ' 133' ' ' VAL . 11.6 t -177.16 -179.72 0.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.165 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.569 HG13 ' HA ' ' A' ' 145' ' ' PRO . 5.6 t -143.98 48.16 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.161 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -88.65 -176.64 5.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -87.19 55.83 3.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -56.47 174.51 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.553 ' HB3' ' HA ' ' A' ' 140' ' ' PRO . 2.9 m-85 -78.69 158.06 76.17 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.68 0.752 . . . . 0.0 110.897 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.553 ' HA ' ' HB3' ' A' ' 139' ' ' TYR . 54.1 Cg_endo -69.74 -49.36 0.23 Allowed 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.377 -0.093 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -146.12 -39.25 0.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -45.92 114.26 0.75 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -94.7 25.98 3.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.1 p -69.3 160.07 80.57 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.65 0.738 . . . . 0.0 110.88 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.569 ' HA ' HG13 ' A' ' 135' ' ' VAL . 53.6 Cg_endo -69.81 108.84 2.18 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.712 2.275 . . . . 0.0 112.328 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 110' ' ' MET . 4.0 p -89.92 115.28 29.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.604 HG12 ' HA ' ' A' ' 132' ' ' LEU . 25.1 m -147.72 146.18 18.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 10.0 p -106.26 101.14 10.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.173 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -92.29 127.58 37.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.1 t -139.4 174.73 10.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.856 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 18.8 m -80.67 155.51 26.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 29.1 t -150.32 143.8 25.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 12.7 p -104.75 13.27 31.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.7 p -163.55 88.24 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.819 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.8 t -69.23 110.52 4.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 77.3 t -150.0 143.61 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.106 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -99.85 111.88 24.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.07 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 2.7 m -161.73 128.42 3.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -136.39 79.77 41.37 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.628 0.728 . . . . 0.0 110.85 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -43.84 2.39 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.311 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -89.15 -59.51 2.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.1 t 59.98 20.05 9.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 69.7 mt -93.48 -21.43 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.118 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -110.77 59.58 0.35 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.504 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.428 ' HB1' ' HB ' ' A' ' 133' ' ' VAL . . . 50.9 29.61 4.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.81 0.338 . . . . 0.0 111.12 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -100.7 32.17 3.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.125 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -69.97 -78.4 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -84.94 121.14 27.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 66.5 mt -128.04 94.19 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -93.54 146.99 23.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 9.4 p -150.54 161.3 42.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 2.6 p -153.09 -176.02 5.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.952 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 173' ' ' PHE . . . . . 0.526 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 71.6 m-85 -132.23 33.26 3.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -140.39 139.96 35.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.74 124.04 18.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.427 HD13 ' OH ' ' A' ' 104' ' ' TYR . 11.7 mt 56.34 36.95 28.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 3.2 p -51.48 -23.38 3.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 9.6 p-10 -137.62 167.97 20.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 1.4 p -169.73 92.07 0.23 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.823 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.04 -77.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 3.1 mm? . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.994 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 3.3 ttm . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.834 0.35 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -70.06 124.78 24.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -119.84 125.84 49.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 3.9 m -128.51 149.46 50.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -72.13 79.34 0.95 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.8 p -115.61 128.59 56.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.169 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 13.5 p -82.61 -175.49 5.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.63 -65.26 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -146.21 160.35 42.92 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.695 0.759 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.489 ' HB3' HG21 ' A' ' 148' ' ' THR . 54.1 Cg_endo -69.78 90.02 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.651 2.234 . . . . 0.0 112.349 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 16.5 ptt? -164.08 -40.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 1.6 p -63.76 107.04 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.7 m -76.93 -41.13 44.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -50.88 -69.97 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.074 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.7 p -139.76 138.88 36.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 1.6 t -136.53 34.07 2.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.675 ' NH2' HG23 ' A' ' 147' ' ' VAL . 0.0 OUTLIER -129.55 91.18 3.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.927 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.7 m -116.89 147.48 42.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 49.6 mt -67.06 100.27 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 36.3 m -113.94 143.01 45.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.157 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.86 123.6 33.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 71.2 m -81.04 175.45 10.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.429 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.1 OUTLIER -71.02 161.58 77.33 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.581 0.705 . . . . 0.0 110.906 179.898 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.429 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.1 Cg_endo -69.76 -28.87 24.74 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.704 2.27 . . . . 0.0 112.315 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -76.81 -29.24 55.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -76.43 151.78 36.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 16.5 p -147.04 17.64 1.23 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -150.13 153.85 37.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.131 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 58.2 m -107.16 155.25 20.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.846 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 5.2 ttp -129.01 141.35 51.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 27.7 m -131.86 123.06 26.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 86.6 m -95.58 115.72 27.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.744 ' HA ' HG12 ' A' ' 147' ' ' VAL . 6.2 tt -119.58 123.33 43.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.618 HG22 HG12 ' A' ' 135' ' ' VAL . 8.6 p -101.65 114.1 39.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.158 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.7 m -84.99 68.49 10.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.618 HG12 HG22 ' A' ' 133' ' ' VAL . 10.4 p -129.62 -37.84 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.101 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' GLU . . . . . 0.504 ' CD ' HG22 ' A' ' 135' ' ' VAL . 3.8 mp0 -151.88 88.91 1.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -96.56 23.92 6.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -161.36 178.92 8.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.529 ' HA ' ' C ' ' A' ' 140' ' ' PRO . 1.0 OUTLIER -54.9 157.09 5.97 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.699 0.762 . . . . 0.0 110.882 -179.824 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 139' ' ' TYR . 53.7 Cg_endo -69.72 175.64 35.62 Favored 'Cis proline' 0 C--O 1.232 0.2 0 C-N-CA 122.723 -1.782 . . . . 0.0 112.35 -0.074 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -96.84 171.38 8.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.842 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -137.29 -175.85 4.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -94.26 24.68 4.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.9 m -140.36 161.37 55.46 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.661 0.743 . . . . 0.0 110.871 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 176.15 7.13 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.745 2.297 . . . . 0.0 112.366 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.632 HG13 HG22 ' A' ' 147' ' ' VAL . 10.3 p -89.38 -33.5 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.141 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.744 HG12 ' HA ' ' A' ' 132' ' ' LEU . 26.8 m -148.89 151.79 12.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.14 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.489 HG21 ' HB3' ' A' ' 109' ' ' PRO . 16.5 p -117.54 114.59 23.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 -94.24 140.75 29.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 54.1 p -149.43 152.61 35.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 27.7 m -69.36 152.6 44.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 47.2 t -150.43 154.18 37.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.2 p -110.95 14.52 22.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.861 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.8 p -162.16 88.61 0.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.885 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.6 t -68.84 107.53 3.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 6.7 m -150.6 137.12 12.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 157' ' ' ALA . . . . . 0.54 ' O ' HG23 ' A' ' 158' ' ' THR . . . -94.36 108.11 20.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 157' ' ' ALA . 0.7 OUTLIER -162.77 124.99 2.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.084 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.29 125.61 92.05 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.605 0.717 . . . . 0.0 110.876 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 160' ' ' PRO . . . . . 0.579 ' HD2' ' HB1' ' A' ' 166' ' ' ALA . 53.2 Cg_endo -69.81 -87.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.647 2.231 . . . . 0.0 112.37 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.42 -4.78 28.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.853 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.4 t 66.28 20.43 11.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 12.0 mt -145.81 112.49 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.14 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 118.0 59.83 0.29 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.481 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 50.31 30.42 4.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.79 0.329 . . . . 0.0 111.116 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 166' ' ' ALA . . . . . 0.579 ' HB1' ' HD2' ' A' ' 160' ' ' PRO . . . -100.82 32.66 3.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -82.52 -77.75 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 168' ' ' LEU . . . . . 0.486 ' O ' HD13 ' A' ' 169' ' ' ILE . 3.1 mm? -89.44 128.39 35.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.486 HD13 ' O ' ' A' ' 168' ' ' LEU . 45.4 mm -134.28 94.08 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.088 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -89.47 149.42 22.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 7.1 p -150.86 160.42 43.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 3.8 p -150.13 -176.05 5.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -133.45 32.21 3.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.22 139.92 37.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.35 123.57 16.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 9.8 mt 56.35 37.06 28.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 4.2 p -50.41 -25.67 4.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -140.89 118.2 11.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.16 24.84 8.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.836 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.85 138.71 38.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.476 HD13 ' C ' ' A' ' 181' ' ' LEU . 2.5 tm? . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 47.2 tpp . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.779 0.323 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.93 125.29 26.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.886 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -119.68 126.48 51.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 8.0 m -127.92 152.37 47.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -76.12 67.89 2.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 7.3 p -93.18 121.81 34.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.163 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 10.3 p -83.17 -175.07 5.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.928 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 6.1 tttp -70.31 -74.16 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -144.69 161.41 43.58 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.61 0.719 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.606 ' HB3' HG23 ' A' ' 148' ' ' THR . 54.2 Cg_endo -69.73 77.78 1.04 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.691 2.261 . . . . 0.0 112.402 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 36.1 mtm -154.52 -43.18 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -50.88 120.68 5.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 29.0 m -80.09 -24.61 40.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -51.68 -78.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.083 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.5 m -179.08 131.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 50.9 t -76.78 77.69 3.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 8.5 mtt180 -138.93 97.83 3.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -146.14 122.91 11.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.147 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 55.5 mt -66.09 119.12 10.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 27.7 m -135.03 145.0 47.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.14 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -88.71 123.44 33.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 96.3 m -81.37 -175.66 5.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.568 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 20.4 mmtt -80.9 161.69 62.53 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.569 0.699 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.568 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.7 Cg_endo -69.76 -28.93 24.65 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.742 2.295 . . . . 0.0 112.336 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -75.79 -29.8 58.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -82.23 151.17 26.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 19.5 p -146.15 15.32 1.33 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.566 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -145.96 150.84 36.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 34.8 m -103.35 158.24 16.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -135.68 145.05 46.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' THR . . . . . 0.444 HG23 ' HG3' ' A' ' 149' ' ' ARG . 0.3 OUTLIER -140.66 122.71 15.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.3 m -100.23 119.21 38.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.769 ' HA ' HG12 ' A' ' 147' ' ' VAL . 17.9 tp -121.39 120.3 34.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 6.1 m -139.77 111.34 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 9.2 t -141.9 150.42 41.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 70.8 t -130.04 -49.21 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -119.17 174.53 6.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -98.54 23.95 7.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -58.84 176.68 0.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.497 ' HA ' ' C ' ' A' ' 140' ' ' PRO . 12.5 m-85 -49.9 160.37 0.65 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.706 0.765 . . . . 0.0 110.942 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 139' ' ' TYR . 53.8 Cg_endo -69.82 176.2 33.72 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.324 -0.025 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -51.33 -29.89 16.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -59.08 -171.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -68.54 -73.51 0.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 6.1 p -168.08 62.47 0.56 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.678 0.751 . . . . 0.0 110.798 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 74.29 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.68 2.254 . . . . 0.0 112.332 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.473 ' O ' HG22 ' A' ' 146' ' ' VAL . 9.8 p -135.72 27.71 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.769 HG12 ' HA ' ' A' ' 132' ' ' LEU . 14.4 m -102.8 150.6 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.606 HG23 ' HB3' ' A' ' 109' ' ' PRO . 0.8 OUTLIER -128.32 108.72 10.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.194 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.444 ' HG3' HG23 ' A' ' 130' ' ' THR . 0.9 OUTLIER -92.04 129.92 37.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.929 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -143.31 168.68 19.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.882 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 6.0 m -76.75 152.04 35.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 37.4 t -149.48 143.98 26.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 19.9 p -96.64 15.73 20.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.9 p -168.76 96.26 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -66.96 113.95 5.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.56 HG22 ' H ' ' A' ' 157' ' ' ALA . 0.8 OUTLIER -139.08 173.57 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 157' ' ' ALA . . . . . 0.56 ' H ' HG22 ' A' ' 156' ' ' VAL . . . -138.42 -168.22 2.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.505 HG21 ' O ' ' A' ' 165' ' ' ALA . 14.7 p -139.17 127.33 22.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -69.64 161.06 76.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.563 0.697 . . . . 0.0 110.878 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 1.71 4.2 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.649 2.233 . . . . 0.0 112.33 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -66.09 -14.79 62.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 2.5 p 61.8 18.2 9.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 29.7 mm -69.25 -20.43 24.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.159 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -163.86 81.59 0.12 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.486 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.505 ' O ' HG21 ' A' ' 158' ' ' THR . . . 51.36 88.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.739 0.304 . . . . 0.0 111.054 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -86.57 60.8 6.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.072 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -99.74 164.83 11.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -72.75 88.38 1.3 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.945 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 85.3 mt -93.5 100.88 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.095 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -97.48 118.42 33.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 9.6 p -131.94 158.86 40.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 2.0 p -151.32 -175.61 5.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 173' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 64.3 m-85 -132.84 30.1 4.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 3.1 mpp_? -140.52 140.64 35.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -56.93 124.95 20.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 5.9 mt 53.5 38.0 27.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 13.2 p -47.18 -28.27 1.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.844 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -173.47 167.23 4.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -154.71 84.27 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.843 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -139.5 140.06 37.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 -179.942 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.844 0.354 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.37 124.7 24.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -118.69 135.72 54.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.865 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.639 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 11.2 m -133.14 142.04 48.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -69.54 85.19 0.43 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.439 HG23 ' O ' ' A' ' 103' ' ' CYS . 1.3 p -121.39 130.52 53.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 13.8 p -82.91 148.38 27.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.9 2.28 35.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -146.31 81.29 9.62 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.646 0.736 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.468 ' CB ' HG22 ' A' ' 148' ' ' THR . 53.7 Cg_endo -69.8 68.83 1.7 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.672 2.248 . . . . 0.0 112.365 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 3.2 mmt -147.77 -40.12 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 65.7 p -48.64 140.81 7.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.159 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.6 m -80.72 -2.64 47.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -158.97 146.72 17.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.04 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.4 t 66.45 79.84 0.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 1.5 t -136.86 43.42 2.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.926 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.29 94.83 2.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.7 m -118.29 150.12 40.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 57.4 mt -67.04 104.62 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 41.1 m -120.69 145.66 47.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.84 123.55 33.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.85 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.639 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 92.7 m -77.62 -178.4 5.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.545 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 9.6 mmtt -81.68 161.03 62.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.566 0.698 . . . . 0.0 110.907 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.545 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.7 Cg_endo -69.75 -29.44 23.92 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.72 2.28 . . . . 0.0 112.308 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -76.11 -25.83 55.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.954 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -84.09 154.44 23.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 19.7 p -147.8 17.85 1.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.158 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.554 ' HB2' ' CE2' ' A' ' 173' ' ' PHE . . . -150.16 153.52 36.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.094 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 64.7 m -104.1 155.55 18.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.2 ttt -131.4 138.13 48.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.8 m -130.28 120.51 24.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.156 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.3 m -98.58 117.41 32.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.687 ' HA ' HG12 ' A' ' 147' ' ' VAL . 10.7 tp -120.05 125.95 49.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 4.4 m -146.3 127.21 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.1 p -69.77 114.16 7.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.135 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.409 HG12 ' N ' ' A' ' 136' ' ' GLU . 4.1 t -103.36 159.53 4.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' GLU . . . . . 0.409 ' N ' HG12 ' A' ' 135' ' ' VAL . 38.3 mt-10 -49.68 159.77 0.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -94.52 22.63 5.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.076 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -59.15 145.92 40.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.54 ' HA ' ' C ' ' A' ' 140' ' ' PRO . 29.0 p90 -80.45 152.76 73.38 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.713 0.768 . . . . 0.0 110.864 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 139' ' ' TYR . 54.3 Cg_endo -69.69 148.26 86.2 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.662 -1.807 . . . . 0.0 112.35 -0.152 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -98.56 155.16 17.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -106.68 174.3 5.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -100.2 -11.43 20.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -140.15 160.96 58.06 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.682 0.753 . . . . 0.0 110.849 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 132.89 24.21 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.684 2.256 . . . . 0.0 112.312 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 10.5 p -89.51 137.16 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.687 HG12 ' HA ' ' A' ' 132' ' ' LEU . 16.6 m -150.29 149.91 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.468 HG22 ' CB ' ' A' ' 109' ' ' PRO . 2.6 p -107.49 101.93 11.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.159 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.83 139.66 30.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 81.0 p -150.08 152.65 35.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 20.8 m -69.57 154.76 41.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 38.1 t -150.26 157.62 43.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 1.7 p -110.65 9.08 22.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 4.9 p -159.62 88.44 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -68.49 124.07 22.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 25.6 m -132.68 -177.17 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.142 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -146.67 138.02 24.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 17.1 p -70.63 -165.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -78.68 136.44 59.2 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.635 0.731 . . . . 0.0 110.854 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -0.16 6.53 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.705 2.27 . . . . 0.0 112.307 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -67.4 -37.05 82.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 64.89 39.24 6.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 9.2 mt -146.56 114.09 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.121 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 88.42 101.83 0.96 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.524 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 48.99 38.29 12.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 0.0 111.104 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -93.7 64.49 3.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -69.37 132.08 45.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.59 101.79 1.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 85.5 mt -103.18 93.28 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -90.63 110.98 22.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 10.1 p -121.77 160.59 24.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 29.4 p -153.65 -170.37 3.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 173' ' ' PHE . . . . . 0.554 ' CE2' ' HB2' ' A' ' 127' ' ' ALA . 74.7 m-85 -138.58 31.81 2.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -134.45 141.4 46.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.819 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.28 123.99 18.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 10.5 mt 53.6 34.15 18.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.944 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 9.5 p -51.94 -25.76 8.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -100.89 154.06 18.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 3.3 m -161.07 78.31 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -93.47 -16.05 24.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -179.946 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 5.8 tpp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.865 0.364 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.83 123.92 22.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -117.38 130.43 56.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.565 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 3.8 m -130.04 149.67 51.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -74.45 72.46 1.86 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.8 p -102.36 126.88 49.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.151 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 15.5 p -82.42 150.63 26.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 42.9 mttt -70.62 -26.41 63.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.58 ' HB3' HG23 ' A' ' 111' ' ' THR . 36.6 mt-10 -113.66 74.98 2.49 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.659 0.742 . . . . 0.0 110.913 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -1.98 9.43 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.67 2.246 . . . . 0.0 112.339 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 2.4 mtt -97.4 -29.83 13.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.58 HG23 ' HB3' ' A' ' 108' ' ' GLU . 66.6 p -62.24 141.2 58.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.9 t -81.19 1.81 30.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.883 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -80.08 -161.39 0.35 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.4 p -62.88 175.39 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 45.1 t -161.41 81.34 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 -146.72 100.6 3.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 20.7 m -149.56 131.22 14.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 56.9 mt -68.8 111.2 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 30.9 m -123.5 145.17 49.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.01 125.4 34.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.565 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 85.2 m -80.13 -179.43 7.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.546 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 2.5 mttt -83.84 162.47 52.44 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.609 0.719 . . . . 0.0 110.887 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.546 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.9 Cg_endo -69.78 -28.89 24.58 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.676 2.251 . . . . 0.0 112.365 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -73.94 -30.73 62.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -81.71 154.61 25.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 23.5 p -146.84 15.53 1.21 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.15 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.428 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -148.0 157.44 43.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 83.1 m -110.96 153.94 24.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.841 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -126.42 143.12 51.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 2.5 m -137.87 110.17 7.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -96.62 123.71 40.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.116 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.824 ' HA ' HG12 ' A' ' 147' ' ' VAL . 10.2 tt -122.48 139.13 54.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.428 ' N ' HD23 ' A' ' 132' ' ' LEU . 5.3 p -139.51 119.28 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.2 m -96.79 110.99 23.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.64 HG12 ' H ' ' A' ' 137' ' ' ALA . 10.4 t -105.87 147.34 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.096 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -81.24 0.16 38.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.64 ' H ' HG12 ' A' ' 135' ' ' VAL . . . -174.17 99.26 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.093 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -85.43 4.28 36.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.53 ' HA ' ' C ' ' A' ' 140' ' ' PRO . 1.3 p90 -52.45 154.49 4.4 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.653 0.739 . . . . 0.0 110.933 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 139' ' ' TYR . 53.9 Cg_endo -69.77 -21.18 10.39 Favored 'Cis proline' 0 C--O 1.231 0.174 0 C-N-CA 122.674 -1.802 . . . . 0.0 112.342 -0.106 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -54.15 172.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -66.63 164.72 16.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -100.06 34.28 2.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.3 t -86.2 153.02 56.46 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.62 0.724 . . . . 0.0 110.87 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 103.55 1.18 Allowed 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.71 2.273 . . . . 0.0 112.353 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 3.5 p -105.81 130.61 57.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.824 HG12 ' HA ' ' A' ' 132' ' ' LEU . 25.9 m -137.85 139.76 42.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.115 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 6.8 p -97.48 95.66 7.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 7.3 ttm105 -92.77 118.14 30.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 5.5 m -136.59 160.35 39.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 13.9 m -69.57 153.02 44.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 44.5 t -149.58 147.85 28.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 4.6 p -98.93 13.25 33.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 4.4 p -161.04 91.6 0.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.8 t -66.99 110.09 3.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 24.3 m -128.14 175.16 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.157 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -152.95 -175.1 5.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.065 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.542 ' OG1' ' HB2' ' A' ' 165' ' ' ALA . 2.1 t -69.23 96.71 0.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -68.7 158.69 84.93 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.604 0.716 . . . . 0.0 110.854 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -4.26 13.66 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.686 2.257 . . . . 0.0 112.355 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -68.4 -12.96 61.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.857 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.1 t 58.65 20.79 8.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.865 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 39.9 mm -80.78 -19.79 11.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.167 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -132.11 -102.99 0.88 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.501 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.542 ' HB2' ' OG1' ' A' ' 158' ' ' THR . . . 51.71 34.38 12.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.784 0.326 . . . . 0.0 111.062 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -79.7 -17.83 52.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.068 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -163.01 163.54 26.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -71.83 119.84 16.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 5.6 mt -114.11 101.04 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.127 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -105.92 104.84 14.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 23.1 p -116.6 170.25 8.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 4.7 p -160.8 -174.93 4.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 173' ' ' PHE . . . . . 0.428 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 58.7 m-85 -133.68 31.89 3.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.01 140.53 36.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.67 125.01 21.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 13.9 mt 54.58 36.79 26.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.951 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 3.6 p -50.8 -24.77 3.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -140.78 123.74 16.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 6.9 p -100.67 -3.82 29.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -70.04 170.69 10.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.466 HD13 ' C ' ' A' ' 181' ' ' LEU . 2.5 tm? . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.816 0.341 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.411 HD12 ' CA ' ' A' ' 126' ' ' THR . 0.0 OUTLIER -71.02 123.92 23.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -119.72 126.39 50.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 9.6 m -131.63 150.06 52.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -69.83 85.09 0.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.3 p -126.46 134.33 50.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.133 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 9.3 p -81.41 159.96 24.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt -68.31 -34.62 76.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -150.29 161.47 30.63 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.664 0.745 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 68.16 1.71 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.692 2.261 . . . . 0.0 112.368 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.78 -177.93 5.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.473 HG22 ' O ' ' A' ' 143' ' ' GLN . 31.9 p -50.58 168.53 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.3 t -74.1 -6.52 48.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -51.04 -41.4 59.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.134 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.2 t -175.64 123.86 0.21 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 1.7 t -144.46 40.74 1.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.519 ' HD2' HD23 ' A' ' 181' ' ' LEU . 1.5 mtm180 -140.17 97.94 3.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.7 m -124.58 158.51 32.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.205 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 61.9 mt -67.36 95.66 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.109 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 25.0 m -110.56 142.78 41.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.74 122.36 33.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 72.2 m -79.99 178.37 8.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.58 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.4 OUTLIER -77.88 163.11 64.95 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.616 0.722 . . . . 0.0 110.901 179.906 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.58 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 54.0 Cg_endo -69.71 -29.26 24.38 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.688 2.259 . . . . 0.0 112.369 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -76.27 -27.56 56.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -85.56 150.0 24.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.411 ' CA ' HD12 ' A' ' 101' ' ' LEU . 30.3 p -147.42 20.51 1.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.66 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -150.24 144.19 25.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 4.9 m -95.31 156.48 16.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -133.24 141.01 47.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 2.7 m -132.71 144.98 50.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.173 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.5 m -122.31 105.57 10.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.676 ' HA ' HG12 ' A' ' 147' ' ' VAL . 0.4 OUTLIER -117.64 126.95 53.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.912 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 40.0 t -96.88 -48.02 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.165 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 3.7 m -143.23 149.52 38.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.138 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 7.3 p -125.29 -36.74 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.145 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -79.47 109.29 13.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -179.61 101.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.068 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -52.63 152.25 3.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.548 ' HA ' ' C ' ' A' ' 140' ' ' PRO . 1.0 OUTLIER -80.99 153.67 72.45 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.658 0.742 . . . . 0.0 110.929 -179.859 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 139' ' ' TYR . 53.6 Cg_endo -69.76 179.73 21.49 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.329 -0.044 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.472 ' CD1' ' N ' ' A' ' 141' ' ' PHE . 0.1 OUTLIER -118.67 -68.87 0.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.827 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -179.56 -179.07 0.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.473 ' O ' HG22 ' A' ' 111' ' ' THR . 21.2 pt20 -92.24 -6.7 49.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 144' ' ' SER . . . . . 0.475 ' HB3' ' HD2' ' A' ' 145' ' ' PRO . 0.7 OUTLIER -101.45 159.95 27.98 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.713 0.768 . . . . 0.0 110.832 -179.807 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.475 ' HD2' ' HB3' ' A' ' 144' ' ' SER . 53.4 Cg_endo -69.8 146.11 58.98 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.696 2.264 . . . . 0.0 112.316 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.493 HG13 HG13 ' A' ' 147' ' ' VAL . 7.6 p -88.93 -35.34 7.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.676 HG12 ' HA ' ' A' ' 132' ' ' LEU . 4.2 m -145.86 146.52 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 2.8 p -124.1 120.72 33.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.95 141.82 31.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 58.7 m -150.3 154.77 38.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 37.3 m -69.03 151.3 46.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.844 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 34.1 t -147.98 164.74 32.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.872 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.5 p -120.94 7.87 10.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.82 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.1 p -156.02 85.5 1.02 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -69.4 113.65 6.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 14.7 m -149.93 149.11 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -97.42 111.27 23.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 8.8 t -172.99 132.39 0.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.105 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.436 ' HA ' ' HD2' ' A' ' 160' ' ' PRO . 19.1 t0 -101.89 100.12 13.9 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.607 0.717 . . . . 0.0 110.845 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 160' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 159' ' ' ASP . 53.5 Cg_endo -69.77 -6.49 18.73 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.659 2.24 . . . . 0.0 112.339 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -69.29 -23.05 63.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.1 t 59.69 20.34 9.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 30.4 mm -82.66 -20.45 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.174 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 130.66 33.28 0.48 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.491 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 50.98 33.42 8.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.788 0.327 . . . . 0.0 111.076 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -74.37 -19.95 60.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.076 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -100.41 113.11 25.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.47 133.46 34.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 4.8 mp -110.61 114.02 45.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -102.05 117.04 33.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 7.8 p -128.6 158.97 37.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 4.9 p -149.23 -176.98 5.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 173' ' ' PHE . . . . . 0.66 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 61.6 m-85 -134.92 33.7 3.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -141.7 139.37 32.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.93 121.69 11.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 7.7 mt 60.81 36.25 19.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 8.7 p -49.84 -24.09 2.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -137.84 171.92 13.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 97.0 p -176.23 80.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.83 -15.43 60.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.519 HD23 ' HD2' ' A' ' 116' ' ' ARG . 4.2 mm? . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.948 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.777 0.322 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.52 124.16 23.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.2 mtmm -113.46 130.16 56.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.895 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.607 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 7.6 m -134.41 141.92 46.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -69.93 89.88 0.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.8 p -125.77 128.77 48.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.134 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 21.5 p -82.18 161.35 22.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -85.37 -24.84 27.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.932 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -114.0 73.41 2.4 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.626 0.727 . . . . 0.0 110.941 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.407 ' CB ' HG22 ' A' ' 148' ' ' THR . 54.1 Cg_endo -69.77 -3.01 11.16 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.7 2.267 . . . . 0.0 112.341 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 8.6 mtt -93.33 -38.2 11.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.873 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 9.0 p -66.93 144.64 56.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.6 m -81.3 2.3 28.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -67.12 -161.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.102 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.411 ' CB ' HD11 ' A' ' 181' ' ' LEU . 9.8 m -73.59 141.09 46.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 49.0 t -130.75 73.63 1.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 46.1 mtp180 -148.42 96.36 2.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.5 m -149.63 140.53 22.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 57.3 mt -69.84 117.21 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 44.4 m -123.47 144.6 49.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 -89.33 124.36 34.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.607 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 79.0 m -80.41 -179.38 7.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.531 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 1.1 mttp -83.02 161.67 57.1 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.572 0.701 . . . . 0.0 110.947 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.531 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.7 Cg_endo -69.82 -30.13 22.49 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -74.88 -25.87 59.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -83.27 154.67 24.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 22.7 p -147.37 16.8 1.17 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.434 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -150.45 152.91 35.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.104 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 60.4 m -103.27 156.15 17.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 3.3 ttp -132.28 140.88 48.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -131.73 145.93 51.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' THR . . . . . 0.565 HG23 ' HA ' ' A' ' 166' ' ' ALA . 64.6 m -121.88 113.77 20.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.535 HD22 ' N ' ' A' ' 133' ' ' VAL . 2.1 tm? -109.38 120.97 44.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.535 ' N ' HD22 ' A' ' 132' ' ' LEU . 5.7 m -100.62 99.33 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 6.8 t -70.82 -10.26 59.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 48.9 t -72.22 145.84 11.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.101 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -66.43 -170.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -176.5 99.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.071 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -56.27 152.27 11.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.525 ' HA ' ' C ' ' A' ' 140' ' ' PRO . 4.9 p90 -50.97 157.81 1.32 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.65 0.738 . . . . 0.0 110.887 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 139' ' ' TYR . 54.2 Cg_endo -69.67 150.87 90.59 Favored 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.351 -0.163 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -163.41 168.51 20.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 43.7 p-10 -99.95 179.66 4.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -83.16 -36.53 24.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' SER . . . . . 0.476 ' CB ' HD22 ' A' ' 181' ' ' LEU . 3.7 m -92.12 158.84 38.71 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.655 0.74 . . . . 0.0 110.854 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 143.28 50.32 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.366 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 4.6 p -99.86 138.23 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.143 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.436 HG22 ' C ' ' A' ' 181' ' ' LEU . 16.9 m -147.66 136.4 15.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.407 HG22 ' CB ' ' A' ' 109' ' ' PRO . 0.7 OUTLIER -97.8 105.91 18.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 13.0 ttt-85 -100.04 137.07 39.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 11.1 p -149.54 152.43 35.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 24.0 m -69.26 156.85 38.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 47.3 t -150.32 161.5 42.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 1.5 p -114.14 14.21 18.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.5 p -163.09 88.97 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.826 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 4.2 t -69.49 103.92 2.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 7.0 m -150.34 118.8 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.148 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -69.84 101.15 1.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.084 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 1.4 m -163.09 124.52 2.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.1 114.21 30.85 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.632 0.729 . . . . 0.0 110.85 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -87.0 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.66 2.24 . . . . 0.0 112.344 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -99.64 -22.84 15.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.4 t 61.83 19.03 10.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 37.3 mm -93.15 -21.65 6.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -96.94 29.45 10.58 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.488 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 53.27 40.63 31.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.808 0.337 . . . . 0.0 111.106 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 166' ' ' ALA . . . . . 0.565 ' HA ' HG23 ' A' ' 131' ' ' THR . . . -99.19 65.11 1.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 23.0 m-70 -69.21 -76.68 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -84.59 120.9 26.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 3.0 mp -112.13 114.25 46.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -111.07 113.85 26.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 21.4 p -122.98 164.6 18.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 4.6 p -155.59 -174.58 5.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 173' ' ' PHE . . . . . 0.434 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 59.4 m-85 -132.63 33.4 3.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 8.8 mtt-85 -141.89 139.96 32.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.06 124.98 21.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 15.0 mt 53.38 37.56 25.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.926 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 4.2 p -50.49 -24.15 2.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -138.54 -169.07 2.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 1.1 t -176.4 87.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -142.71 153.3 43.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.476 HD22 ' CB ' ' A' ' 144' ' ' SER . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.938 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.4 ptp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.805 0.336 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.87 127.42 32.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -120.59 138.48 53.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.692 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 6.4 m -136.29 145.55 45.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -72.05 82.01 0.96 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.0 p -112.68 124.06 51.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.139 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 21.4 p -83.56 171.98 12.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.0 mttp -100.2 -18.58 16.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.645 ' O ' HG22 ' A' ' 111' ' ' THR . 68.1 mm-40 -122.38 82.46 46.32 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.643 0.735 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.448 ' HB3' HG22 ' A' ' 148' ' ' THR . 53.8 Cg_endo -69.76 -1.09 7.87 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.691 2.261 . . . . 0.0 112.354 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -107.06 -0.78 22.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.853 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.645 HG22 ' O ' ' A' ' 108' ' ' GLU . 6.2 t -80.43 143.53 33.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.151 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.9 p -80.25 -3.03 47.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -68.72 -160.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.613 ' O ' HG23 ' A' ' 146' ' ' VAL . 1.7 m -71.19 -45.65 62.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 1.6 t 65.95 65.39 0.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 19.0 mtm105 -150.48 107.72 3.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.8 m -139.4 141.01 37.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 63.5 mt -69.65 118.04 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.111 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 54.4 m -132.66 145.08 50.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.145 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 14.4 mtt85 -89.66 124.14 34.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.692 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 72.3 m -76.1 174.71 9.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.443 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.1 OUTLIER -71.92 161.99 75.77 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.53 0.681 . . . . 0.0 110.96 179.893 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.443 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.5 Cg_endo -69.81 -28.42 25.05 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.674 2.249 . . . . 0.0 112.324 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -76.55 -28.98 56.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -77.85 153.95 32.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 22.9 p -146.58 15.29 1.25 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.461 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -150.67 154.61 37.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 61.4 m -107.09 159.73 16.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.68 146.07 52.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 4.1 m -139.94 114.38 9.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 99.1 m -104.75 133.6 49.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.472 ' HA ' HG12 ' A' ' 147' ' ' VAL . 15.0 tp -118.99 116.51 26.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.616 HG12 HG22 ' A' ' 135' ' ' VAL . 19.8 t -100.59 105.14 17.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.3 m -99.11 37.57 1.52 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.616 HG22 HG12 ' A' ' 133' ' ' VAL . 21.3 m -80.86 -170.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -48.88 165.11 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.701 ' HB1' ' CB ' ' A' ' 143' ' ' GLN . . . -165.57 92.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.137 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -155.21 -177.39 6.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.468 ' HA ' ' C ' ' A' ' 140' ' ' PRO . 3.1 m-85 -48.4 164.38 0.27 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.681 0.753 . . . . 0.0 110.94 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.468 ' C ' ' HA ' ' A' ' 139' ' ' TYR . 53.4 Cg_endo -69.77 -52.63 0.16 OUTLIER 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.375 -0.031 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -64.1 166.49 7.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -91.09 -177.07 4.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.701 ' CB ' ' HB1' ' A' ' 137' ' ' ALA . 18.1 mp0 -151.69 176.31 11.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.4 m -178.23 162.87 1.22 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.665 0.745 . . . . 0.0 110.826 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 63.96 1.78 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.685 2.257 . . . . 0.0 112.374 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 114' ' ' SER . 5.4 p -100.26 162.03 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.472 HG12 ' HA ' ' A' ' 132' ' ' LEU . 31.5 m -138.25 140.32 40.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.177 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.448 HG22 ' HB3' ' A' ' 109' ' ' PRO . 1.4 p -88.41 98.89 11.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 26.0 ttm-85 -88.98 135.09 33.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 5.0 m -150.05 150.11 31.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 20.6 m -68.0 153.65 43.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 44.8 t -149.93 149.21 30.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 8.3 p -100.16 14.35 31.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.5 p -166.52 94.0 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.0 t -66.82 112.81 4.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 16.0 m -140.82 141.69 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -97.71 -167.07 1.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.107 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.727 HG23 ' HB2' ' A' ' 165' ' ' ALA . 89.4 m -68.46 97.25 0.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.422 ' HB3' ' HD2' ' A' ' 160' ' ' PRO . 0.7 OUTLIER -68.97 156.22 91.92 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.605 0.717 . . . . 0.0 110.88 179.904 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 160' ' ' PRO . . . . . 0.422 ' HD2' ' HB3' ' A' ' 159' ' ' ASP . 53.2 Cg_endo -69.79 -2.31 9.97 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.695 2.263 . . . . 0.0 112.325 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -67.6 -18.72 65.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 57.4 27.31 13.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 30.0 mt -69.57 -20.03 23.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -155.22 -89.66 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.727 ' HB2' HG23 ' A' ' 158' ' ' THR . . . 53.44 33.9 17.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 0.0 111.067 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -74.9 -19.46 60.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.09 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 167' ' ' HIS . . . . . 0.473 ' CE1' HG13 ' A' ' 133' ' ' VAL . 86.9 m-70 -150.21 167.45 26.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -74.35 121.68 21.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 70.4 mt -101.44 124.3 55.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -131.19 103.02 6.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 12.2 p -113.51 166.31 11.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 4.6 p -154.74 -175.42 5.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 173' ' ' PHE . . . . . 0.461 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 55.4 m-85 -133.93 38.42 3.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -145.88 139.26 26.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.11 123.57 16.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 15.6 mt 56.13 36.93 28.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 1.9 p -51.23 -24.0 3.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -139.46 106.69 5.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 8.1 t -100.73 7.74 43.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.85 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -82.8 170.79 14.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 2.3 tt . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.976 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.824 0.345 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.36 128.2 53.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 4.0 m -132.69 147.73 52.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -71.33 80.1 0.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.5 p -113.17 130.53 56.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 14.4 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.97 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 57.6 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.894 0.378 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 37.6 m -127.6 144.02 51.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.127 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.56 121.87 32.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 88.5 m -80.69 178.36 8.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.427 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.1 OUTLIER -73.44 161.45 78.97 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.603 0.716 . . . . 0.0 110.895 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.427 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.7 Cg_endo -69.7 -29.67 23.75 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.751 2.301 . . . . 0.0 112.388 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -75.81 -30.58 59.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -77.37 148.1 35.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 8.6 p -145.05 14.46 1.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.629 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -146.83 135.89 22.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.081 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 34.9 m -89.92 158.9 17.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.2 ttp -133.47 143.38 48.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.5 m -136.67 124.15 22.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.962 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.84 0.352 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 2.4 p -144.53 155.28 43.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 18.1 m -69.28 153.61 43.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 48.0 t -150.52 165.25 33.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.833 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 3.8 p -121.16 13.64 11.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.83 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.8 p -166.33 90.32 0.42 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 4.7 mp . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.806 0.336 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -89.19 109.78 20.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.848 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 5.9 p -123.3 159.66 28.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 1.8 p -149.72 -176.11 5.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . 0.629 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 69.7 m-85 -131.65 30.31 4.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -140.66 140.05 34.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -56.37 124.79 19.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 9.9 mt 52.69 39.19 28.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 9.1 p . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.859 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.873 0.368 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -113.67 129.25 56.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.667 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 8.3 m -133.44 141.16 47.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -69.77 85.99 0.49 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.8 p -118.17 124.53 48.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.121 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 19.4 p . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 61.1 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.936 0.398 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 46.6 m -123.01 145.38 48.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.3 124.48 34.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.667 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 84.2 m -79.99 -177.47 6.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.543 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 4.8 mttt -84.18 161.67 54.08 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.537 0.684 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.543 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.3 Cg_endo -69.78 -30.38 22.3 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.665 2.243 . . . . 0.0 112.356 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -74.3 -27.84 60.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -80.86 154.12 27.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 19.2 p -146.13 15.55 1.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.179 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.456 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -150.5 155.91 40.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 60.7 m -106.96 155.8 19.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -130.6 141.1 50.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.3 m -132.62 118.56 19.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.17 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 6.8 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.109 -179.949 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.83 0.347 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 37.1 p -145.21 153.59 41.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 18.7 m -69.26 155.88 39.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 45.9 t -150.04 159.92 44.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 1.8 p -113.48 12.54 18.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.8 p -160.85 87.28 0.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.6 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.851 -179.963 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 3.0 mp . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.915 0.388 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -100.39 113.02 25.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 18.9 p -121.41 161.32 22.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 2.8 p -150.76 -175.55 5.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . 0.456 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 55.3 m-85 -132.74 34.19 3.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 2.5 mpp_? -141.61 139.42 33.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.844 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.1 123.28 15.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 15.3 mt 56.2 37.49 28.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 3.2 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 179.906 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.889 0.376 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -118.9 124.23 46.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 8.0 m -128.26 150.35 50.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.855 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -73.3 76.03 1.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.7 p -110.13 131.08 55.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 8.6 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 25.7 mt . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.919 0.39 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 32.1 m -122.16 142.72 50.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -90.24 120.39 31.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 94.6 m -80.47 -176.93 5.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.543 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.1 OUTLIER -79.59 161.75 65.71 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.577 0.703 . . . . 0.0 110.901 179.922 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.543 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.8 Cg_endo -69.77 -29.04 24.47 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.704 2.269 . . . . 0.0 112.35 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -75.99 -26.89 57.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.828 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -82.09 150.1 27.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.2 p -146.66 17.22 1.29 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.649 ' HB2' ' CE2' ' A' ' 173' ' ' PHE . . . -149.98 143.44 25.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 11.8 m -97.0 155.11 16.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 5.5 ttp -129.7 139.85 51.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -136.76 133.53 36.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.144 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 52.0 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 19.2 ttt85 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.847 0.356 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 73.2 m -150.21 153.56 36.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.828 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 22.0 m -68.89 147.33 51.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 35.9 t -143.68 162.23 36.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.4 p -120.21 11.39 11.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.8 p -165.17 88.07 0.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.922 -179.978 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 44.8 mm . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.82 0.343 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -89.76 111.82 22.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 5.4 p -126.49 159.72 32.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 1.8 p -149.67 -177.38 5.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.823 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . 0.649 ' CE2' ' HB2' ' A' ' 127' ' ' ALA . 69.5 m-85 -133.9 32.41 3.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -141.65 139.26 32.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -57.36 121.55 10.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 5.2 mt 59.09 38.02 24.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 8.0 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.91 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.878 0.37 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -111.38 132.16 54.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.644 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 38.3 m -131.86 143.95 50.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -74.09 75.73 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 6.8 p -104.35 125.82 50.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.103 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 22.7 p . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.937 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 59.5 mt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.873 0.368 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 53.9 m -127.83 146.07 50.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 -89.17 121.99 32.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.644 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 92.9 m -80.34 -174.57 4.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.553 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.0 OUTLIER -85.78 161.9 49.04 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.577 0.704 . . . . 0.0 110.896 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.553 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.6 Cg_endo -69.82 -30.5 21.91 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.653 2.235 . . . . 0.0 112.335 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -73.95 -27.18 60.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -82.23 152.27 26.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 26.6 p -146.26 15.15 1.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.53 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -150.87 148.14 28.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.078 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 34.6 m -100.97 153.73 19.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -127.87 141.93 51.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.4 m -133.87 131.1 38.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.1 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.179 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 28.4 ttt-85 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.838 0.351 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.8 p -140.55 161.6 37.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.859 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 15.2 m -69.66 154.68 41.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 34.9 t -148.69 163.28 37.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.9 p -119.16 10.99 12.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.839 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.2 p -161.84 88.07 0.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.82 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 3.5 mp . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.847 0.355 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -89.53 145.01 25.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.0 p -150.8 162.13 41.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.935 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 3.5 p -149.67 -175.85 5.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . 0.53 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 60.2 m-85 -134.84 30.22 3.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -138.88 140.53 38.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -55.66 123.23 13.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 16.4 mt 52.97 40.37 30.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.955 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 14.5 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 179.892 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.903 0.382 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.0 mttp -123.16 122.2 37.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 3.3 m -126.6 152.83 46.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -70.84 81.34 0.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.934 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.0 p -107.87 122.57 47.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.155 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.5 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 74.6 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.926 0.393 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 46.5 m -105.61 144.65 32.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.159 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.28 124.05 34.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 91.5 m -76.87 -176.4 3.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.534 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 9.0 mttt -81.63 161.27 62.07 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.525 0.678 . . . . 0.0 110.908 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.534 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.4 Cg_endo -69.73 -30.97 21.55 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.677 2.251 . . . . 0.0 112.342 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -75.02 -27.04 59.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -84.09 153.85 23.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 24.6 p -146.55 18.07 1.32 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.149 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -150.42 157.82 43.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.097 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 32.2 m -107.52 161.43 14.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.2 ttt -136.12 142.72 44.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 17.6 m -137.17 116.88 13.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 24.6 ttm-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.881 0.372 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 72.7 m -147.5 155.78 42.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 18.2 m -69.26 156.08 39.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 42.4 t -150.19 150.44 31.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -108.1 8.58 28.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.8 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 4.7 p -153.85 82.05 1.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 45.2 mm . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.841 0.353 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -102.12 114.62 28.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 12.7 p -120.6 164.45 16.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 20.2 p -154.78 -168.63 2.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -141.99 23.94 2.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -132.16 140.36 48.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -56.13 127.75 32.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 4.5 mt 51.14 34.44 11.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 26.9 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.93 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.909 0.385 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.7 mtpp -120.1 125.35 48.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 3.8 m -126.19 153.37 44.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.842 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -75.83 75.7 2.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.0 p -110.06 127.43 54.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.109 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 10.7 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.952 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 59.8 mt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.881 0.372 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 39.0 m -124.88 143.66 50.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -90.68 123.28 34.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 84.8 m -80.69 -179.32 7.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.558 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.2 OUTLIER -81.84 162.78 56.4 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.614 0.721 . . . . 0.0 110.902 179.896 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.558 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.7 Cg_endo -69.77 -29.94 23.02 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.639 2.226 . . . . 0.0 112.335 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -72.64 -28.14 62.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -84.54 152.59 23.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 11.0 p -145.57 14.89 1.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.502 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -145.46 155.41 43.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.064 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 58.0 m -109.34 155.6 21.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.825 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -129.21 140.27 51.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.8 m -138.87 126.58 22.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 4.8 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 -179.964 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 17.9 ttt85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.825 0.345 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.5 m -150.26 155.58 39.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 12.4 m -69.15 151.46 46.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 39.5 t -149.92 148.69 29.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 7.1 p -100.95 16.4 25.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.9 p -168.52 94.24 0.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.832 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 78.4 mt . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.867 0.365 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -89.72 108.9 19.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 11.6 p -124.14 160.04 28.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 2.9 p -152.16 -175.43 5.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . 0.502 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 71.5 m-85 -131.65 23.68 4.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.03 141.83 44.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.23 126.82 27.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.826 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 10.0 mt 51.08 37.6 18.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 31.2 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.938 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.94 0.4 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.17 132.13 56.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.418 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 8.7 m -135.36 145.91 47.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -69.82 85.62 0.49 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.7 p -116.7 123.4 47.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.174 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 8.3 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 82.9 mt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.942 0.401 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 47.7 m -128.15 144.85 51.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.8 mtt180 -89.31 124.25 34.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.837 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.418 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 85.6 m -79.41 -179.9 7.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.565 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 4.9 mttm -80.91 162.4 59.96 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.61 0.719 . . . . 0.0 110.893 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.565 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.6 Cg_endo -69.78 -29.64 23.45 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.717 2.278 . . . . 0.0 112.334 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -74.02 -26.91 60.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -84.65 152.7 23.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 28.5 p -147.04 15.58 1.18 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.646 ' HB2' ' CE2' ' A' ' 173' ' ' PHE . . . -150.89 143.62 24.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.086 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 46.3 m -91.36 165.72 13.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -142.36 142.05 32.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 2.6 m -131.04 151.57 51.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.811 0.338 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 16.4 p -147.71 155.39 41.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 19.5 m -69.45 156.26 39.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.927 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 33.8 t -150.17 164.42 35.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.9 p -119.35 8.18 11.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.8 p -161.24 87.25 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.905 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 2.5 mp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.827 0.346 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -109.02 107.8 18.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 7.0 p -119.16 164.3 15.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 4.9 p -156.4 -175.58 5.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . 0.646 ' CE2' ' HB2' ' A' ' 127' ' ' ALA . 84.2 m-85 -131.92 36.06 3.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.813 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -140.69 140.72 34.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.34 122.6 14.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 14.5 mt 57.17 35.11 25.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 1.8 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.895 179.899 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.834 0.349 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 21.0 mtmt -121.55 137.33 54.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.421 ' O ' HG23 ' A' ' 105' ' ' THR . 5.9 m -138.0 146.17 42.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -69.69 87.13 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 103' ' ' CYS . 2.2 p -119.86 126.84 51.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.156 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 12.6 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 59.8 mt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.888 0.375 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 38.8 m -130.92 146.01 52.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.96 123.06 32.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 89.1 m -78.7 -177.56 5.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.566 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 15.2 mmtt -82.1 161.66 59.53 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.618 0.723 . . . . 0.0 110.899 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.566 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.6 Cg_endo -69.76 -29.34 24.02 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.71 2.273 . . . . 0.0 112.343 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -74.68 -27.7 60.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -81.58 152.91 26.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 17.2 p -146.24 14.87 1.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.545 ' HB2' ' CE2' ' A' ' 173' ' ' PHE . . . -150.35 153.51 36.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.129 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 49.5 m -103.8 159.36 15.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 2.5 ttt -135.52 138.9 43.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 2.6 m -130.9 149.21 52.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.125 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.176 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 5.1 ttm105 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.821 0.343 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.1 m -145.58 157.99 43.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.823 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 12.4 m -69.68 152.39 44.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 45.8 t -145.82 148.4 32.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 12.3 p -103.05 13.72 33.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.8 p -170.15 93.07 0.22 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 3.8 mp . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.859 0.361 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -109.99 114.07 27.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.8 p -124.62 157.31 35.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.849 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 3.8 p -149.86 -175.63 5.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . 0.545 ' CE2' ' HB2' ' A' ' 127' ' ' ALA . 78.1 m-85 -133.3 32.44 3.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -140.96 139.76 34.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.93 126.33 25.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 6.4 mt 50.78 38.41 19.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 6.2 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.916 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.906 0.384 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.71 131.94 56.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 13.4 m -130.49 148.54 52.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -72.88 76.56 1.16 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.6 p -109.54 126.39 53.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.185 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 7.6 p . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 68.0 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.903 0.383 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 40.3 m -117.95 144.05 45.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -88.81 124.23 33.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 96.3 m -80.21 -177.3 6.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.54 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 11.8 mttt -82.1 161.89 58.75 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.547 0.689 . . . . 0.0 110.927 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.54 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.3 Cg_endo -69.78 -30.88 21.49 Favored 'Trans proline' 0 C--N 1.34 0.119 0 C-N-CA 122.695 2.263 . . . . 0.0 112.315 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -73.39 -29.22 62.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -80.16 153.06 28.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 23.0 p -146.76 17.33 1.27 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.56 ' HB2' ' CE2' ' A' ' 173' ' ' PHE . . . -150.63 155.94 40.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 84.5 m -104.69 160.53 14.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.3 ttt -137.28 141.24 41.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.4 m -133.94 147.61 51.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.1 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.157 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 8.4 ttm105 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.785 0.326 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 72.1 p -148.34 157.46 43.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 16.2 m -69.75 154.11 42.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 36.5 t -149.61 153.13 36.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.833 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 1.5 p -109.78 6.8 23.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.828 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 4.2 p -157.61 86.29 0.92 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.832 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 44.0 mm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.853 0.358 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -113.02 109.23 18.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 9.6 p -119.46 165.51 14.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 21.1 p -161.76 -169.26 2.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 127' ' ' ALA . 54.4 m-85 -138.94 32.01 2.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -130.65 141.74 50.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.27 119.55 10.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 13.1 mt 61.99 28.85 17.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 2.8 p . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.913 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.42 HD12 ' N ' ' A' ' 127' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.921 0.391 . . . . 0.0 110.875 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.75 122.89 42.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 8.5 m -133.29 145.71 50.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -72.58 76.76 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.6 p -111.89 128.35 56.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 11.2 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 57.7 mt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.936 0.398 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 24.3 m -112.49 142.56 44.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 -89.36 122.52 32.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 82.3 m -81.36 -174.82 5.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.559 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.1 OUTLIER -83.11 162.29 54.92 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.587 0.708 . . . . 0.0 110.906 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.559 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.9 Cg_endo -69.71 -29.36 24.22 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.689 2.26 . . . . 0.0 112.357 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -74.94 -26.3 59.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -83.07 149.49 26.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 15.7 p -145.25 15.65 1.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.152 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.42 ' N ' HD12 ' A' ' 101' ' ' LEU . . . -150.5 141.68 23.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 60.9 m -91.46 165.13 13.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 5.3 ttp -140.86 144.53 35.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.4 m -136.26 155.14 50.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.126 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 10.0 m . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 12.5 ttt180 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.866 0.365 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.1 m -146.43 157.46 43.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.838 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 16.7 m -69.81 155.97 39.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 37.1 t -150.87 163.17 39.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 3.3 p -120.79 7.27 10.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.5 p -160.51 86.76 0.74 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.824 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 4.2 mp . . . . . 0 N--CA 1.457 -0.122 0 CA-C-O 120.842 0.353 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -103.09 108.48 19.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 9.0 p -122.8 157.54 32.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 3.5 p -149.79 -176.79 5.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -129.66 29.72 4.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -137.26 139.57 41.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.49 124.4 19.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 10.0 mt 54.39 36.64 25.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 2.8 p . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.872 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.446 HD12 ' CA ' ' A' ' 126' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.899 0.381 . . . . 0.0 110.953 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -119.14 123.04 43.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 33.0 m -118.96 151.53 38.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -76.28 76.82 3.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.952 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.6 p -110.18 123.83 50.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 9.8 p . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.972 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 62.7 mt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.927 0.394 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 48.2 m -109.35 142.68 39.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.166 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.37 119.2 29.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 79.1 m -80.35 175.12 10.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.422 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 8.4 mtmm -69.22 162.26 67.12 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.608 0.718 . . . . 0.0 110.877 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.422 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.8 Cg_endo -69.78 -28.69 24.87 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.681 2.254 . . . . 0.0 112.312 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -78.69 -29.98 45.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -74.46 148.02 41.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . 0.446 ' CA ' HD12 ' A' ' 101' ' ' LEU . 14.3 p -145.9 15.98 1.39 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -151.05 144.17 24.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.111 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 17.1 m -92.21 158.59 16.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 2.0 ttt -134.04 146.52 50.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.7 m -138.25 142.51 39.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.171 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.156 -179.972 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.815 0.34 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.3 m -141.93 156.62 45.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.831 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 32.4 m -68.68 155.29 40.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 47.1 t -150.36 159.51 44.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.3 p -116.54 16.55 15.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.8 p -169.09 91.61 0.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 -179.972 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 5.3 mp . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.831 0.348 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -98.31 147.36 24.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.3 p -151.17 158.77 44.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 28.8 p -150.18 178.71 8.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -131.97 35.25 3.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 9.2 mmt180 -139.07 137.52 36.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.32 120.74 9.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 14.4 mt 61.18 33.07 19.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 11.9 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.908 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.856 0.36 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -114.78 126.83 55.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 7.1 m -131.1 145.5 52.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -71.4 81.19 0.77 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.8 p -113.55 125.51 54.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.118 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 18.1 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 61.2 mt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.923 0.392 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 34.6 m -118.64 143.87 46.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.124 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 17.5 mtt180 -89.5 123.49 33.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 97.7 m -80.65 -178.69 6.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.538 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 1.2 mttt -80.72 161.8 62.59 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.593 0.711 . . . . 0.0 110.854 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.538 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.5 Cg_endo -69.76 -28.96 24.6 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.692 2.261 . . . . 0.0 112.337 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -75.33 -29.29 59.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -80.64 152.35 28.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 15.3 p -146.66 16.54 1.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.478 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -149.24 151.53 34.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.141 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 57.0 m -103.29 156.3 17.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.3 ttt -131.95 139.24 48.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 20.3 m -128.2 138.77 52.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.124 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 97.5 m . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.194 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.843 0.354 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 25.4 m -148.27 156.08 42.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 13.2 m -69.39 152.76 44.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 42.3 t -149.02 150.5 32.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 10.3 p -103.71 15.17 29.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.82 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.0 p -166.43 92.51 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.836 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 -179.955 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 5.1 mp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.931 0.396 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -117.59 113.42 21.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 16.2 p -121.76 162.67 20.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 2.7 p -152.86 -175.29 5.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . 0.478 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 55.7 m-85 -132.8 33.6 3.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 18.5 mtt180 -141.21 140.19 33.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.83 121.64 12.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 15.1 mt 58.99 36.29 24.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 2.4 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.911 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.907 0.384 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -119.18 124.48 46.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 5.0 m -129.2 147.18 51.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.427 ' OH ' HD13 ' A' ' 176' ' ' LEU . 35.9 m-85 -72.0 80.6 0.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.985 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.5 p -111.44 127.18 55.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.146 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 16.3 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.888 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 60.1 mt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.881 0.372 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 36.9 m -128.63 143.17 50.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.24 123.48 34.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 74.9 m -80.85 177.05 9.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.427 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 12.8 mtmt -69.93 161.91 71.99 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.589 0.709 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.427 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.3 Cg_endo -69.81 -28.94 24.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.342 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -77.83 -28.46 50.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.38 147.87 32.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 14.1 p -143.67 13.08 1.71 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.176 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.526 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -140.54 155.36 46.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.089 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 65.5 m -109.26 157.38 18.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.3 ttt -130.74 146.56 52.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 3.2 m -139.32 118.96 13.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.768 0.318 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.1 t -139.4 174.73 10.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.856 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 18.8 m -80.67 155.51 26.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 29.1 t -150.32 143.8 25.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 12.7 p -104.75 13.27 31.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.7 p -163.55 88.24 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.819 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 66.5 mt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.851 0.357 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -93.54 146.99 23.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 9.4 p -150.54 161.3 42.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 2.6 p -153.09 -176.02 5.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.952 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . 0.526 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 71.6 m-85 -132.23 33.26 3.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -140.39 139.96 35.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.74 124.04 18.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.427 HD13 ' OH ' ' A' ' 104' ' ' TYR . 11.7 mt 56.34 36.95 28.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 3.2 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 179.92 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 101' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.858 0.361 . . . . 0.0 110.949 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -119.84 125.84 49.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 3.9 m -128.51 149.46 50.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -72.13 79.34 0.95 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.8 p -115.61 128.59 56.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.169 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 13.5 p . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.993 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 49.6 mt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.88 0.371 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 36.3 m -113.94 143.01 45.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.157 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.86 123.6 33.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 71.2 m -81.04 175.45 10.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.429 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.1 OUTLIER -71.02 161.58 77.33 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.581 0.705 . . . . 0.0 110.906 179.898 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.429 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.1 Cg_endo -69.76 -28.87 24.74 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.704 2.27 . . . . 0.0 112.315 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -76.81 -29.24 55.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -76.43 151.78 36.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 16.5 p -147.04 17.64 1.23 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -150.13 153.85 37.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.131 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 58.2 m -107.16 155.25 20.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.846 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 5.2 ttp -129.01 141.35 51.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 27.7 m -131.86 123.06 26.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 86.6 m . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 -179.968 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.822 0.344 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 54.1 p -149.43 152.61 35.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 27.7 m -69.36 152.6 44.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 47.2 t -150.43 154.18 37.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.2 p -110.95 14.52 22.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.861 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.8 p -162.16 88.61 0.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.885 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 45.4 mm . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.816 0.341 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -89.47 149.42 22.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 7.1 p -150.86 160.42 43.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 3.8 p -150.13 -176.05 5.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -133.45 32.21 3.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.22 139.92 37.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.35 123.57 16.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 9.8 mt 56.35 37.06 28.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 4.2 p . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 179.925 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.905 0.384 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -119.68 126.48 51.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 8.0 m -127.92 152.37 47.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -76.12 67.89 2.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 7.3 p -93.18 121.81 34.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.163 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 10.3 p . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.928 179.975 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 55.5 mt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.873 0.368 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 27.7 m -135.03 145.0 47.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.14 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -88.71 123.44 33.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 96.3 m -81.37 -175.66 5.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.568 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 20.4 mmtt -80.9 161.69 62.53 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.569 0.699 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.568 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.7 Cg_endo -69.76 -28.93 24.65 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.742 2.295 . . . . 0.0 112.336 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -75.79 -29.8 58.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -82.23 151.17 26.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 19.5 p -146.15 15.32 1.33 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.566 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -145.96 150.84 36.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 34.8 m -103.35 158.24 16.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -135.68 145.05 46.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . 0.444 HG23 ' HG3' ' A' ' 149' ' ' ARG . 0.3 OUTLIER -140.66 122.71 15.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 -179.959 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.444 ' HG3' HG23 ' A' ' 130' ' ' THR . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.85 0.357 . . . . 0.0 110.85 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -143.31 168.68 19.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.882 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 6.0 m -76.75 152.04 35.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 37.4 t -149.48 143.98 26.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 19.9 p -96.64 15.73 20.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.9 p -168.76 96.26 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 85.3 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.885 0.374 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -97.48 118.42 33.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 9.6 p -131.94 158.86 40.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 2.0 p -151.32 -175.61 5.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 64.3 m-85 -132.84 30.1 4.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 3.1 mpp_? -140.52 140.64 35.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -56.93 124.95 20.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 5.9 mt 53.5 38.0 27.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 13.2 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.844 179.91 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.909 0.385 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -118.69 135.72 54.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.865 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.639 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 11.2 m -133.14 142.04 48.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -69.54 85.19 0.43 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.439 HG23 ' O ' ' A' ' 103' ' ' CYS . 1.3 p -121.39 130.52 53.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 13.8 p . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.981 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 57.4 mt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.923 0.392 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 41.1 m -120.69 145.66 47.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.84 123.55 33.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.85 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.639 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 92.7 m -77.62 -178.4 5.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.545 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 9.6 mmtt -81.68 161.03 62.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.566 0.698 . . . . 0.0 110.907 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.545 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.7 Cg_endo -69.75 -29.44 23.92 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.72 2.28 . . . . 0.0 112.308 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -76.11 -25.83 55.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.954 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -84.09 154.44 23.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 19.7 p -147.8 17.85 1.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.158 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.554 ' HB2' ' CE2' ' A' ' 173' ' ' PHE . . . -150.16 153.52 36.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.094 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 64.7 m -104.1 155.55 18.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.2 ttt -131.4 138.13 48.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.8 m -130.28 120.51 24.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.156 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.804 0.335 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 81.0 p -150.08 152.65 35.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 20.8 m -69.57 154.76 41.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 38.1 t -150.26 157.62 43.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 1.7 p -110.65 9.08 22.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 4.9 p -159.62 88.44 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 85.5 mt . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.87 0.366 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -90.63 110.98 22.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 10.1 p -121.77 160.59 24.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 29.4 p -153.65 -170.37 3.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . 0.554 ' CE2' ' HB2' ' A' ' 127' ' ' ALA . 74.7 m-85 -138.58 31.81 2.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -134.45 141.4 46.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.819 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.28 123.99 18.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 10.5 mt 53.6 34.15 18.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.944 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 9.5 p . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.914 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.951 0.405 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -117.38 130.43 56.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.565 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 3.8 m -130.04 149.67 51.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -74.45 72.46 1.86 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.8 p -102.36 126.88 49.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.151 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 15.5 p . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.985 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 56.9 mt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.951 0.405 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 30.9 m -123.5 145.17 49.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.01 125.4 34.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.565 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 85.2 m -80.13 -179.43 7.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.546 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 2.5 mttt -83.84 162.47 52.44 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.609 0.719 . . . . 0.0 110.887 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.546 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.9 Cg_endo -69.78 -28.89 24.58 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.676 2.251 . . . . 0.0 112.365 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -73.94 -30.73 62.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -81.71 154.61 25.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 23.5 p -146.84 15.53 1.21 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.15 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.428 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -148.0 157.44 43.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 83.1 m -110.96 153.94 24.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.841 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -126.42 143.12 51.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 2.5 m -137.87 110.17 7.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.116 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 7.3 ttm105 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.84 0.352 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 5.5 m -136.59 160.35 39.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 13.9 m -69.57 153.02 44.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 44.5 t -149.58 147.85 28.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 4.6 p -98.93 13.25 33.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 4.4 p -161.04 91.6 0.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.923 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 5.6 mt . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 120.865 0.364 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -105.92 104.84 14.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 23.1 p -116.6 170.25 8.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 4.7 p -160.8 -174.93 4.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . 0.428 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 58.7 m-85 -133.68 31.89 3.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.01 140.53 36.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.67 125.01 21.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 13.9 mt 54.58 36.79 26.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.951 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 3.6 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.411 HD12 ' CA ' ' A' ' 126' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.866 0.365 . . . . 0.0 110.916 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -119.72 126.39 50.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 9.6 m -131.63 150.06 52.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -69.83 85.09 0.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.3 p -126.46 134.33 50.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.133 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 9.3 p . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.962 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 61.9 mt . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.882 0.373 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 25.0 m -110.56 142.78 41.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.74 122.36 33.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 72.2 m -79.99 178.37 8.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.58 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.4 OUTLIER -77.88 163.11 64.95 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.616 0.722 . . . . 0.0 110.901 179.906 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.58 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 54.0 Cg_endo -69.71 -29.26 24.38 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.688 2.259 . . . . 0.0 112.369 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -76.27 -27.56 56.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -85.56 150.0 24.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . 0.411 ' CA ' HD12 ' A' ' 101' ' ' LEU . 30.3 p -147.42 20.51 1.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.66 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -150.24 144.19 25.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 4.9 m -95.31 156.48 16.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -133.24 141.01 47.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 2.7 m -132.71 144.98 50.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.173 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.825 0.345 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 58.7 m -150.3 154.77 38.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 37.3 m -69.03 151.3 46.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.844 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 34.1 t -147.98 164.74 32.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.872 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.5 p -120.94 7.87 10.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.82 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.1 p -156.02 85.5 1.02 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 4.8 mp . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.881 0.372 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -102.05 117.04 33.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 7.8 p -128.6 158.97 37.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 4.9 p -149.23 -176.98 5.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . 0.66 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 61.6 m-85 -134.92 33.7 3.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -141.7 139.37 32.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.93 121.69 11.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 7.7 mt 60.81 36.25 19.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 8.7 p . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.899 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.859 0.361 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.2 mtmm -113.46 130.16 56.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.895 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.607 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 7.6 m -134.41 141.92 46.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -69.93 89.88 0.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.8 p -125.77 128.77 48.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.134 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 21.5 p . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.979 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 57.3 mt . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.927 0.394 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 44.4 m -123.47 144.6 49.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 -89.33 124.36 34.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.607 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 79.0 m -80.41 -179.38 7.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.531 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 1.1 mttp -83.02 161.67 57.1 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.572 0.701 . . . . 0.0 110.947 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.531 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.7 Cg_endo -69.82 -30.13 22.49 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -74.88 -25.87 59.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -83.27 154.67 24.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 22.7 p -147.37 16.8 1.17 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.434 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -150.45 152.91 35.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.104 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 60.4 m -103.27 156.15 17.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 3.3 ttp -132.28 140.88 48.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -131.73 145.93 51.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 64.6 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 13.0 ttt-85 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.855 0.359 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 11.1 p -149.54 152.43 35.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 24.0 m -69.26 156.85 38.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 47.3 t -150.32 161.5 42.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 1.5 p -114.14 14.21 18.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.5 p -163.09 88.97 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.826 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 4.2 t . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 -179.988 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 3.0 mp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.885 0.374 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -111.07 113.85 26.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 21.4 p -122.98 164.6 18.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 4.6 p -155.59 -174.58 5.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . 0.434 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 59.4 m-85 -132.63 33.4 3.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 8.8 mtt-85 -141.89 139.96 32.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.06 124.98 21.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 15.0 mt 53.38 37.56 25.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.926 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 4.2 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.916 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.925 0.393 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -120.59 138.48 53.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.692 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 6.4 m -136.29 145.55 45.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -72.05 82.01 0.96 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.0 p -112.68 124.06 51.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.139 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 21.4 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 63.5 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.942 0.401 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 54.4 m -132.66 145.08 50.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.145 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 14.4 mtt85 -89.66 124.14 34.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.692 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 72.3 m -76.1 174.71 9.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.443 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.1 OUTLIER -71.92 161.99 75.77 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.53 0.681 . . . . 0.0 110.96 179.893 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.443 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.5 Cg_endo -69.81 -28.42 25.05 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.674 2.249 . . . . 0.0 112.324 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -76.55 -28.98 56.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -77.85 153.95 32.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 22.9 p -146.58 15.29 1.25 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.461 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -150.67 154.61 37.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 61.4 m -107.09 159.73 16.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.68 146.07 52.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 4.1 m -139.94 114.38 9.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 99.1 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 -179.965 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 26.0 ttm-85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.822 0.344 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 5.0 m -150.05 150.11 31.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 20.6 m -68.0 153.65 43.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 44.8 t -149.93 149.21 30.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 8.3 p -100.16 14.35 31.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.5 p -166.52 94.0 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.967 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 70.4 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.888 0.375 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -131.19 103.02 6.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 12.2 p -113.51 166.31 11.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 4.6 p -154.74 -175.42 5.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . 0.461 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 55.4 m-85 -133.93 38.42 3.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -145.88 139.26 26.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.11 123.57 16.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 15.6 mt 56.13 36.93 28.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 1.9 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.942 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 16.6 tpp . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.735 0.302 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.1 125.14 25.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.946 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.36 128.2 53.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 4.0 m -132.69 147.73 52.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -71.33 80.1 0.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.5 p -113.17 130.53 56.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 14.4 p -82.3 176.21 9.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.76 -45.82 67.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.946 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -150.66 159.41 34.4 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.592 0.71 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 131.8 21.94 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.694 2.262 . . . . 0.0 112.353 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.654 ' HB2' ' HB3' ' A' ' 113' ' ' ALA . 0.1 OUTLIER -148.87 162.8 39.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.89 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.559 ' O ' HG12 ' A' ' 146' ' ' VAL . 17.5 p -77.06 -75.74 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 33.6 p -57.11 -41.82 79.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.654 ' HB3' ' HB2' ' A' ' 110' ' ' MET . . . -53.52 102.1 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.7 m -50.82 -25.32 4.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 49.1 t 62.47 76.67 0.36 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 12.3 mmt-85 -148.02 86.73 1.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.5 m -138.27 136.84 36.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 57.6 mt -67.02 115.94 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.14 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 37.6 m -127.6 144.02 51.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.127 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.56 121.87 32.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 88.5 m -80.69 178.36 8.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.427 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.1 OUTLIER -73.44 161.45 78.97 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.603 0.716 . . . . 0.0 110.895 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.427 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.7 Cg_endo -69.7 -29.67 23.75 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.751 2.301 . . . . 0.0 112.388 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -75.81 -30.58 59.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -77.37 148.1 35.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 8.6 p -145.05 14.46 1.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.629 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -146.83 135.89 22.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.081 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 34.9 m -89.92 158.9 17.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.2 ttp -133.47 143.38 48.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.5 m -136.67 124.15 22.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.3 m -89.9 103.39 16.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.554 HD22 ' CE1' ' A' ' 170' ' ' PHE . 7.6 mp -90.34 115.15 27.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.421 HG23 ' CE1' ' A' ' 167' ' ' HIS . 4.2 p -141.47 120.46 10.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 58.5 p -75.4 143.05 42.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 35.8 t -144.29 149.08 17.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.141 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -51.66 140.22 19.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.544 ' HB1' ' HA ' ' A' ' 143' ' ' GLN . . . -100.09 25.67 7.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -89.44 160.64 16.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.505 ' HA ' ' C ' ' A' ' 140' ' ' PRO . 5.3 m-85 -62.15 160.56 30.09 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.672 0.749 . . . . 0.0 110.937 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 139' ' ' TYR . 53.7 Cg_endo -69.72 -19.37 11.22 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.302 -0.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -52.86 151.53 4.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -93.29 162.8 13.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.544 ' HA ' ' HB1' ' A' ' 137' ' ' ALA . 5.7 pt20 -73.55 79.67 1.46 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.8 m -154.13 157.43 32.4 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.691 0.758 . . . . 0.0 110.833 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.597 ' HB2' HD12 ' A' ' 181' ' ' LEU . 54.4 Cg_endo -69.71 167.95 22.89 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.677 2.252 . . . . 0.0 112.409 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.559 HG12 ' O ' ' A' ' 111' ' ' THR . 15.7 m -150.85 118.47 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.068 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.71 HG22 HD11 ' A' ' 181' ' ' LEU . 27.0 m -147.85 170.41 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.089 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 22.0 p -132.02 115.95 16.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 -99.87 133.44 44.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 2.4 p -144.53 155.28 43.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 18.1 m -69.28 153.61 43.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 48.0 t -150.52 165.25 33.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.833 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 3.8 p -121.16 13.64 11.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.83 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.8 p -166.33 90.32 0.42 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.64 120.21 14.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 21.3 t -145.9 123.2 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.167 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -100.16 108.57 20.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.073 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 1.3 m -162.9 127.56 3.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.443 ' OD2' ' HB1' ' A' ' 166' ' ' ALA . 27.5 m-20 -75.74 154.33 85.27 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.585 0.707 . . . . 0.0 110.876 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -89.39 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.729 2.286 . . . . 0.0 112.326 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -103.17 -30.52 10.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . 0.518 ' HA ' ' HB2' ' A' ' 166' ' ' ALA . 2.6 t 67.96 10.29 7.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 21.3 mm -101.17 -17.37 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.131 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.433 ' O ' ' HB3' ' A' ' 165' ' ' ALA . . . -156.37 94.6 0.14 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.545 ' HB1' ' CE1' ' A' ' 167' ' ' HIS . . . 68.5 89.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 111.077 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . 0.518 ' HB2' ' HA ' ' A' ' 162' ' ' SER . . . -101.24 80.74 2.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.111 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . 0.545 ' CE1' ' HB1' ' A' ' 165' ' ' ALA . 6.1 m-70 -66.47 119.68 12.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.871 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.14 159.15 33.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 4.7 mp -126.33 100.34 6.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.143 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . 0.554 ' CE1' HD22 ' A' ' 132' ' ' LEU . 6.3 m-85 -89.19 109.78 20.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.848 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 5.9 p -123.3 159.66 28.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 1.8 p -149.72 -176.11 5.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . 0.629 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 69.7 m-85 -131.65 30.31 4.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -140.66 140.05 34.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -56.37 124.79 19.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 9.9 mt 52.69 39.19 28.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 9.1 p -47.7 -26.51 1.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -138.64 121.81 16.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 9.9 t -103.1 33.07 3.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -139.57 148.89 43.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.71 HD11 HG22 ' A' ' 147' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.786 0.327 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.12 124.98 25.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -113.67 129.25 56.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.667 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 8.3 m -133.44 141.16 47.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -69.77 85.99 0.49 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.8 p -118.17 124.53 48.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.121 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 19.4 p -83.89 169.25 15.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.3 mtmp? -100.26 34.4 2.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -140.67 158.44 65.67 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.678 0.751 . . . . 0.0 110.895 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -165.78 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.646 2.231 . . . . 0.0 112.351 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.531 ' HA ' HG23 ' A' ' 148' ' ' THR . 1.0 OUTLIER -66.71 -12.56 58.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 7.4 t -48.12 146.41 2.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.12 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.423 ' O ' ' HB2' ' A' ' 113' ' ' ALA . 0.9 OUTLIER -52.24 118.35 3.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.871 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.423 ' HB2' ' O ' ' A' ' 112' ' ' SER . . . 177.88 136.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.065 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 70.7 p -51.29 102.68 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 14.8 t -98.72 80.47 2.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 46.0 mtp180 -149.47 81.42 1.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 5.4 m -139.05 131.97 29.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 61.1 mt -68.43 115.65 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 46.6 m -123.01 145.38 48.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.3 124.48 34.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.667 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 84.2 m -79.99 -177.47 6.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.543 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 4.8 mttt -84.18 161.67 54.08 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.537 0.684 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.543 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.3 Cg_endo -69.78 -30.38 22.3 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.665 2.243 . . . . 0.0 112.356 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -74.3 -27.84 60.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -80.86 154.12 27.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 19.2 p -146.13 15.55 1.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.179 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.456 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -150.5 155.91 40.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 60.7 m -106.96 155.8 19.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -130.6 141.1 50.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.3 m -132.62 118.56 19.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.17 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 6.8 m -99.04 122.06 41.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.109 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.769 ' HA ' HG12 ' A' ' 147' ' ' VAL . 9.9 tt -122.66 127.93 49.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.96 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 7.6 p -158.43 124.44 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 9.8 t -159.72 135.69 8.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 19.3 m -115.19 -31.01 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -144.99 116.58 8.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -97.13 25.2 5.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.095 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -104.18 163.75 12.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.524 ' HA ' ' C ' ' A' ' 140' ' ' PRO . 5.4 p90 -50.96 157.5 1.38 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.68 0.752 . . . . 0.0 110.904 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 139' ' ' TYR . 53.6 Cg_endo -69.83 -22.1 9.89 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.309 0.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -52.17 170.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -87.97 174.4 8.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 13.2 tm0? -99.89 -18.05 17.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 6.1 t -70.26 141.85 89.14 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.68 0.752 . . . . 0.0 110.887 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 103.44 1.16 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.692 2.262 . . . . 0.0 112.351 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 10.5 p -89.9 135.31 26.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.769 HG12 ' HA ' ' A' ' 132' ' ' LEU . 11.5 m -149.32 148.29 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.531 HG23 ' HA ' ' A' ' 110' ' ' MET . 5.9 p -103.84 98.58 8.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.169 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.5 133.5 34.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 37.1 p -145.21 153.59 41.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 18.7 m -69.26 155.88 39.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 45.9 t -150.04 159.92 44.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 1.8 p -113.48 12.54 18.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.8 p -160.85 87.28 0.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.6 t -69.06 105.35 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 9.7 m -150.43 166.33 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.117 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -98.33 111.68 23.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.108 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 10.5 m -154.8 109.59 3.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.427 ' HA ' ' HD2' ' A' ' 160' ' ' PRO . 43.9 t0 -102.35 98.78 11.26 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.572 0.701 . . . . 0.0 110.887 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 159' ' ' ASP . 53.2 Cg_endo -69.8 -8.12 22.8 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.675 2.25 . . . . 0.0 112.327 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.0 -64.72 1.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.4 t 58.32 20.87 7.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 1.9 pp -69.8 -29.48 40.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.082 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -169.29 25.35 0.11 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.496 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 49.53 31.93 4.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.8 0.333 . . . . 0.0 111.106 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -100.24 5.26 44.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.079 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 31.9 m-70 -99.06 84.67 3.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -83.28 109.04 16.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 3.0 mp -93.92 101.15 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.121 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -100.39 113.02 25.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 18.9 p -121.41 161.32 22.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 2.8 p -150.76 -175.55 5.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . 0.456 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 55.3 m-85 -132.74 34.19 3.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 2.5 mpp_? -141.61 139.42 33.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.844 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.1 123.28 15.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 15.3 mt 56.2 37.49 28.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 3.2 p -51.11 -24.92 4.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 32.0 p-10 -143.27 119.74 11.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.28 21.52 12.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.838 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -80.47 149.31 30.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 3.2 tt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 30.8 tpp . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.768 0.318 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.6 124.54 24.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.965 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -118.9 124.23 46.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 8.0 m -128.26 150.35 50.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.855 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -73.3 76.03 1.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.7 p -110.13 131.08 55.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 8.6 p -82.04 -172.19 3.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -74.1 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -149.17 161.92 30.62 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.685 0.755 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 79.56 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.676 2.25 . . . . 0.0 112.38 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 4.4 ptm -104.65 -166.1 1.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.437 HG22 ' H ' ' A' ' 112' ' ' SER . 0.4 OUTLIER -48.68 167.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.125 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.437 ' H ' HG22 ' A' ' 111' ' ' THR . 1.4 t -45.2 123.92 4.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -176.13 137.1 0.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.086 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 43.1 p -50.24 128.2 18.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.466 ' H ' HD21 ' A' ' 181' ' ' LEU . 39.6 t -107.9 63.55 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -132.4 93.43 3.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.1 m -141.84 134.18 27.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 25.7 mt -67.61 109.91 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 32.1 m -122.16 142.72 50.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -90.24 120.39 31.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 94.6 m -80.47 -176.93 5.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.543 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.1 OUTLIER -79.59 161.75 65.71 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.577 0.703 . . . . 0.0 110.901 179.922 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.543 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.8 Cg_endo -69.77 -29.04 24.47 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.704 2.269 . . . . 0.0 112.35 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -75.99 -26.89 57.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.828 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -82.09 150.1 27.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.2 p -146.66 17.22 1.29 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.649 ' HB2' ' CE2' ' A' ' 173' ' ' PHE . . . -149.98 143.44 25.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 11.8 m -97.0 155.11 16.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 5.5 ttp -129.7 139.85 51.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -136.76 133.53 36.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.144 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 52.0 m -113.13 113.91 26.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.445 ' HA ' HG12 ' A' ' 147' ' ' VAL . 2.5 mt -101.62 139.46 37.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.656 ' CG2' HG13 ' A' ' 135' ' ' VAL . 8.9 p -146.57 121.7 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.11 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 26.8 p -101.0 54.46 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.656 HG13 ' CG2' ' A' ' 133' ' ' VAL . 5.8 m -81.45 -33.31 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -163.84 83.85 0.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -100.26 26.06 6.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.079 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -163.33 177.93 8.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.916 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.529 ' HA ' ' C ' ' A' ' 140' ' ' PRO . 20.0 m-85 -47.95 156.11 0.77 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.691 0.758 . . . . 0.0 110.899 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 139' ' ' TYR . 53.3 Cg_endo -69.79 -48.29 0.28 Allowed 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.654 -1.811 . . . . 0.0 112.345 -0.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -176.49 171.19 2.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -130.47 145.09 51.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -89.66 10.31 23.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -139.81 161.36 56.67 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.675 0.75 . . . . 0.0 110.866 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -176.28 1.42 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.701 2.267 . . . . 0.0 112.339 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.583 HG22 HG13 ' A' ' 147' ' ' VAL . 8.6 p -89.32 -43.34 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.128 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.583 HG13 HG22 ' A' ' 146' ' ' VAL . 19.7 m -151.51 133.06 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 24.8 p -106.55 104.79 14.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 19.2 ttt85 -91.88 140.16 29.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.837 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 73.2 m -150.21 153.56 36.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.828 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 22.0 m -68.89 147.33 51.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 35.9 t -143.68 162.23 36.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.4 p -120.21 11.39 11.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.8 p -165.17 88.07 0.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.4 t -69.68 106.78 3.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 18.6 t -145.48 151.21 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.175 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -71.76 109.05 5.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 28.3 p -139.43 113.96 9.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -139.53 81.26 20.43 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.636 0.731 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -8.05 22.61 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.656 2.237 . . . . 0.0 112.362 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -70.23 -65.93 0.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.1 t 57.32 23.64 9.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 50.5 mm -69.54 -22.46 25.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.153 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 173.37 32.15 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.505 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 48.44 31.38 2.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 111.098 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -99.98 1.06 42.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.126 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 61.5 m80 -100.43 84.09 2.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 7.0 mp -84.24 129.89 34.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 44.8 mm -105.84 91.57 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.145 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -89.76 111.82 22.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 5.4 p -126.49 159.72 32.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 1.8 p -149.67 -177.38 5.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.823 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . 0.649 ' CE2' ' HB2' ' A' ' 127' ' ' ALA . 69.5 m-85 -133.9 32.41 3.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -141.65 139.26 32.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -57.36 121.55 10.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 5.2 mt 59.09 38.02 24.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 8.0 p -48.52 -25.6 1.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -138.9 136.74 35.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 3.8 p -100.04 -13.49 19.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -69.75 173.28 6.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.466 HD21 ' H ' ' A' ' 115' ' ' CYS . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.855 0.359 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.49 123.67 21.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -111.38 132.16 54.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.644 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 38.3 m -131.86 143.95 50.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -74.09 75.73 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 6.8 p -104.35 125.82 50.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.103 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 22.7 p -83.1 152.79 25.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -90.97 7.09 41.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -138.62 76.65 35.37 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.693 0.759 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.449 ' CB ' HG22 ' A' ' 148' ' ' THR . 54.3 Cg_endo -69.77 -2.6 10.46 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.645 2.23 . . . . 0.0 112.361 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -95.41 -43.12 8.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 82.4 p -55.75 125.66 22.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.12 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.02 -4.68 51.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -54.25 -72.78 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.084 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 69.2 p -162.78 -172.74 3.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 48.6 t -157.62 80.52 0.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 -144.71 98.71 3.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 25.0 m -150.71 128.64 11.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 59.5 mt -68.26 115.33 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 53.9 m -127.83 146.07 50.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 -89.17 121.99 32.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.644 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 92.9 m -80.34 -174.57 4.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.553 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.0 OUTLIER -85.78 161.9 49.04 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.577 0.704 . . . . 0.0 110.896 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.553 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.6 Cg_endo -69.82 -30.5 21.91 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.653 2.235 . . . . 0.0 112.335 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -73.95 -27.18 60.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -82.23 152.27 26.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 26.6 p -146.26 15.15 1.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.53 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -150.87 148.14 28.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.078 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 34.6 m -100.97 153.73 19.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -127.87 141.93 51.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.4 m -133.87 131.1 38.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.1 m -102.72 104.19 14.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.179 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.563 HD22 ' N ' ' A' ' 133' ' ' VAL . 1.9 tm? -101.72 120.82 40.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.598 HG12 ' CD2' ' A' ' 167' ' ' HIS . 7.1 m -100.49 100.95 11.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.6 m -75.39 -4.86 41.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.434 HG22 ' HB ' ' A' ' 133' ' ' VAL . 22.8 m -50.14 162.34 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.12 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -51.72 135.42 29.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -178.7 99.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.148 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -129.08 -176.4 3.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.507 ' HA ' ' C ' ' A' ' 140' ' ' PRO . 5.3 m-85 -63.69 160.65 42.72 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.639 0.733 . . . . 0.0 110.924 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 139' ' ' TYR . 53.7 Cg_endo -69.76 -44.92 0.46 Allowed 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.305 -0.035 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -157.44 168.27 27.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -122.07 156.32 33.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -73.86 -25.77 60.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.94 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 3.2 p -90.36 156.32 45.89 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.632 0.729 . . . . 0.0 110.886 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -176.0 1.33 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.682 2.255 . . . . 0.0 112.395 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.945 HG11 HD23 ' A' ' 181' ' ' LEU . 60.1 t -92.39 -71.75 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.143 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.798 HG13 HG12 ' A' ' 146' ' ' VAL . 21.2 m -146.21 146.18 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.449 HG22 ' CB ' ' A' ' 109' ' ' PRO . 2.0 p -112.24 100.19 8.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 28.4 ttt-85 -95.72 125.57 40.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.8 p -140.55 161.6 37.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.859 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 15.2 m -69.66 154.68 41.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 34.9 t -148.69 163.28 37.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.9 p -119.16 10.99 12.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.839 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.2 p -161.84 88.07 0.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.82 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.3 t -68.63 114.51 7.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 26.9 t -141.34 126.95 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.163 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -100.19 109.76 22.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.101 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 77.2 p -150.71 -174.98 4.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -141.93 80.19 15.75 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.61 0.719 . . . . 0.0 110.836 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -8.23 23.07 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.671 2.247 . . . . 0.0 112.325 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -86.27 -47.02 9.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 2.5 p 62.53 16.21 8.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 64.0 mt -72.24 -21.32 20.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.169 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 140.49 36.89 0.11 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 50.79 36.59 14.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.781 0.324 . . . . 0.0 111.095 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -91.92 14.68 14.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.076 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . 0.598 ' CD2' HG12 ' A' ' 133' ' ' VAL . 73.1 m80 -153.99 80.74 1.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -74.42 157.88 34.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 3.5 mp -133.85 98.96 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -89.53 145.01 25.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.0 p -150.8 162.13 41.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.935 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 3.5 p -149.67 -175.85 5.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . 0.53 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 60.2 m-85 -134.84 30.22 3.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -138.88 140.53 38.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -55.66 123.23 13.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 16.4 mt 52.97 40.37 30.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.955 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 14.5 p -46.99 -27.85 1.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 18.7 p30 -154.57 141.4 19.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 3.1 m -100.8 6.34 43.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -69.77 173.87 5.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.945 HD23 HG11 ' A' ' 146' ' ' VAL . 8.3 mp . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.945 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 3.5 ttm . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.841 0.353 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.23 125.05 28.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.0 mttp -123.16 122.2 37.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 3.3 m -126.6 152.83 46.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -70.84 81.34 0.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.934 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.0 p -107.87 122.57 47.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.155 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . 0.471 ' HB3' ' HA ' ' A' ' 115' ' ' CYS . 1.5 p -87.1 162.99 17.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -100.69 34.53 2.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -148.99 154.31 39.46 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.646 0.736 . . . . 0.0 110.878 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -165.76 0.16 Allowed 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.709 2.273 . . . . 0.0 112.327 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.441 ' O ' HG13 ' A' ' 146' ' ' VAL . 0.1 OUTLIER -58.04 -20.35 38.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 81.1 p -48.27 157.44 0.32 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.165 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 41.0 p -51.6 115.14 1.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 179.84 125.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.1 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.5 t -51.47 147.97 5.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.818 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.471 ' HA ' ' HB3' ' A' ' 106' ' ' CYS . 2.8 t -137.52 72.24 1.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -147.9 49.46 1.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.5 m -112.25 130.98 55.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.117 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 74.6 mt -69.13 97.08 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.11 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 46.5 m -105.61 144.65 32.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.159 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.28 124.05 34.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 91.5 m -76.87 -176.4 3.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.534 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 9.0 mttt -81.63 161.27 62.07 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.525 0.678 . . . . 0.0 110.908 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.534 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.4 Cg_endo -69.73 -30.97 21.55 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.677 2.251 . . . . 0.0 112.342 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -75.02 -27.04 59.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -84.09 153.85 23.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 24.6 p -146.55 18.07 1.32 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.149 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -150.42 157.82 43.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.097 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 32.2 m -107.52 161.43 14.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.2 ttt -136.12 142.72 44.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 17.6 m -137.17 116.88 13.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.4 m -101.62 126.26 48.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.835 ' HA ' HG12 ' A' ' 147' ' ' VAL . 10.5 tt -120.13 125.89 49.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 3.5 p -164.2 124.73 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 85.2 m -70.82 127.92 34.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 18.3 m -139.79 178.23 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -93.57 155.37 17.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -177.83 99.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.106 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -56.7 169.28 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.529 ' HA ' ' C ' ' A' ' 140' ' ' PRO . 34.2 m-85 -51.9 157.72 1.96 Allowed Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.689 0.757 . . . . 0.0 110.907 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 139' ' ' TYR . 53.4 Cg_endo -69.78 176.97 30.52 Favored 'Cis proline' 0 C--N 1.341 0.155 0 C-N-CA 122.642 -1.816 . . . . 0.0 112.324 -0.065 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -128.79 169.3 14.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -132.21 166.46 21.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -95.35 35.66 1.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.78 161.19 38.52 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.713 0.768 . . . . 0.0 110.823 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 179.64 3.56 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.712 2.275 . . . . 0.0 112.351 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 110' ' ' MET . 98.3 t -116.39 102.47 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.17 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.835 HG12 ' HA ' ' A' ' 132' ' ' LEU . 27.8 m -141.03 133.15 29.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.17 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.415 HG23 ' HG2' ' A' ' 110' ' ' MET . 2.8 p -95.99 101.62 13.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.162 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 24.6 ttm-85 -90.34 131.0 36.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 72.7 m -147.5 155.78 42.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 18.2 m -69.26 156.08 39.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 42.4 t -150.19 150.44 31.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -108.1 8.58 28.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.8 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 4.7 p -153.85 82.05 1.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.1 t -69.06 110.12 4.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 66.5 t -150.05 144.45 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -93.56 110.99 22.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 4.2 t -148.75 121.87 8.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.167 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.56 95.71 7.68 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.569 0.7 . . . . 0.0 110.848 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -7.61 21.49 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.695 2.263 . . . . 0.0 112.319 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.0 -60.73 1.57 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.857 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 58.29 20.84 7.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 70.4 mt -78.81 -21.44 12.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.178 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 163.2 37.26 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.457 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 50.58 39.15 20.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.795 0.331 . . . . 0.0 111.078 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -91.91 14.84 14.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 51.7 m-70 -147.0 76.34 1.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -75.24 139.75 42.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 45.2 mm -122.86 99.87 7.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.202 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -102.12 114.62 28.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 12.7 p -120.6 164.45 16.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 20.2 p -154.78 -168.63 2.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -141.99 23.94 2.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -132.16 140.36 48.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -56.13 127.75 32.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 4.5 mt 51.14 34.44 11.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 26.9 p -47.36 -33.53 5.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -162.66 -178.81 6.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -174.44 96.53 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.69 -14.09 62.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.819 0.342 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.84 125.34 26.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.7 mtpp -120.1 125.35 48.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 3.8 m -126.19 153.37 44.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.842 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -75.83 75.7 2.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.0 p -110.06 127.43 54.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.109 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 10.7 p -82.65 159.6 22.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.04 17.55 13.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -150.35 68.91 8.75 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.614 0.721 . . . . 0.0 110.881 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 80.89 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.67 2.247 . . . . 0.0 112.336 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 9.6 tpt -173.74 -44.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.547 HG22 ' H ' ' A' ' 113' ' ' ALA . 2.3 m -55.61 130.99 45.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.206 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.1 m -78.27 -13.31 59.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.547 ' H ' HG22 ' A' ' 111' ' ' THR . . . -52.46 -70.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.085 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -163.96 -167.95 1.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.413 ' HB3' HD23 ' A' ' 181' ' ' LEU . 39.5 t -172.44 84.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.4 ' HD3' ' HB2' ' A' ' 179' ' ' SER . 2.9 mmm-85 -142.46 100.57 3.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 22.5 m -150.39 130.46 13.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 59.8 mt -69.37 115.16 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 39.0 m -124.88 143.66 50.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -90.68 123.28 34.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 84.8 m -80.69 -179.32 7.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.558 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.2 OUTLIER -81.84 162.78 56.4 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.614 0.721 . . . . 0.0 110.902 179.896 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.558 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.7 Cg_endo -69.77 -29.94 23.02 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.639 2.226 . . . . 0.0 112.335 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -72.64 -28.14 62.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -84.54 152.59 23.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 11.0 p -145.57 14.89 1.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.502 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -145.46 155.41 43.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.064 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 58.0 m -109.34 155.6 21.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.825 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -129.21 140.27 51.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.8 m -138.87 126.58 22.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 4.8 m -106.06 118.23 36.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.554 HD22 ' N ' ' A' ' 133' ' ' VAL . 1.6 tm? -109.66 118.13 35.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.554 ' N ' HD22 ' A' ' 132' ' ' LEU . 10.1 m -140.3 120.8 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.1 m -69.9 91.71 0.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.538 HG12 ' OE2' ' A' ' 138' ' ' GLU . 16.9 m -101.44 37.74 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -80.89 -19.04 45.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -93.19 18.1 9.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.087 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.538 ' OE2' HG12 ' A' ' 135' ' ' VAL . 9.3 pt-20 -144.35 146.8 32.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.537 ' HA ' ' C ' ' A' ' 140' ' ' PRO . 32.5 p90 -80.54 152.89 73.27 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.676 0.75 . . . . 0.0 110.877 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 139' ' ' TYR . 53.7 Cg_endo -69.7 175.67 35.47 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.33 -0.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -112.56 144.82 41.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -147.27 177.18 9.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -80.01 -68.9 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 2.4 m -83.54 160.27 59.47 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.679 0.752 . . . . 0.0 110.865 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.579 ' O ' HD11 ' A' ' 181' ' ' LEU . 54.0 Cg_endo -69.7 173.46 10.89 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.703 2.269 . . . . 0.0 112.342 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 3.1 p -131.99 141.1 46.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 1.027 HG22 HD22 ' A' ' 181' ' ' LEU . 18.9 m -139.54 153.48 23.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.6 p -111.44 98.29 7.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.406 HH22 ' ND2' ' A' ' 178' ' ' ASN . 17.9 ttt85 -92.97 135.16 34.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.5 m -150.26 155.58 39.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 12.4 m -69.15 151.46 46.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 39.5 t -149.92 148.69 29.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 7.1 p -100.95 16.4 25.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.9 p -168.52 94.24 0.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -68.13 123.68 21.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.832 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 26.1 t -146.4 129.58 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . 0.543 ' O ' HG23 ' A' ' 158' ' ' THR . . . -140.81 133.42 28.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.055 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.543 HG23 ' O ' ' A' ' 157' ' ' ALA . 0.7 OUTLIER -162.67 113.57 1.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.183 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.94 76.76 33.22 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.629 0.728 . . . . 0.0 110.9 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -7.81 22.0 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.662 2.242 . . . . 0.0 112.358 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.51 -64.41 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.6 t 64.34 15.81 9.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.816 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 10.4 mt -146.95 111.66 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 80.17 102.63 0.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.439 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 59.6 36.82 22.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.755 0.312 . . . . 0.0 111.066 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -100.36 72.81 1.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.103 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -67.03 111.24 3.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -69.98 143.04 52.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.44 ' O ' ' HB2' ' A' ' 157' ' ' ALA . 78.4 mt -122.64 92.87 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -89.72 108.9 19.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 11.6 p -124.14 160.04 28.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 2.9 p -152.16 -175.43 5.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . 0.502 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 71.5 m-85 -131.65 23.68 4.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.03 141.83 44.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.23 126.82 27.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.826 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 10.0 mt 51.08 37.6 18.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 31.2 p -42.71 -34.94 0.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . 0.406 ' ND2' HH22 ' A' ' 149' ' ' ARG . 0.4 OUTLIER -174.33 -175.18 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . 0.4 ' HB2' ' HD3' ' A' ' 116' ' ' ARG . 0.5 OUTLIER -166.29 93.0 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.852 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -68.21 -17.51 64.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 1.027 HD22 HG22 ' A' ' 147' ' ' VAL . 9.9 tp . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.86 0.362 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.16 124.27 24.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.17 132.13 56.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.418 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 8.7 m -135.36 145.91 47.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -69.82 85.62 0.49 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.7 p -116.7 123.4 47.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.174 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . 0.404 ' HB3' ' HA ' ' A' ' 115' ' ' CYS . 8.3 p -84.83 -176.0 6.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 6.2 tptt -79.48 -62.89 1.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.952 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -131.3 160.39 67.35 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.639 0.733 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 108.69 2.14 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.711 2.274 . . . . 0.0 112.328 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.613 ' HB2' ' HB3' ' A' ' 113' ' ' ALA . 39.2 mmm -142.2 146.27 35.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.732 HG22 ' CG2' ' A' ' 146' ' ' VAL . 41.6 p -80.36 -51.45 8.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.2 t -71.66 -14.06 61.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.613 ' HB3' ' HB2' ' A' ' 110' ' ' MET . . . -95.04 93.45 7.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.078 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.1 t -48.58 104.12 0.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.572 ' HB3' HD21 ' A' ' 181' ' ' LEU . 30.9 t -76.36 66.16 2.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.662 ' HG3' HD23 ' A' ' 181' ' ' LEU . 1.4 mtt180 -135.81 51.99 2.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.7 m -105.77 130.75 53.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.167 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 82.9 mt -68.91 119.88 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 47.7 m -128.15 144.85 51.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.8 mtt180 -89.31 124.25 34.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.837 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.418 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 85.6 m -79.41 -179.9 7.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.565 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 4.9 mttm -80.91 162.4 59.96 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.61 0.719 . . . . 0.0 110.893 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.565 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.6 Cg_endo -69.78 -29.64 23.45 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.717 2.278 . . . . 0.0 112.334 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -74.02 -26.91 60.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -84.65 152.7 23.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 28.5 p -147.04 15.58 1.18 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.646 ' HB2' ' CE2' ' A' ' 173' ' ' PHE . . . -150.89 143.62 24.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.086 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 46.3 m -91.36 165.72 13.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -142.36 142.05 32.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 2.6 m -131.04 151.57 51.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.19 124.85 31.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.14 105.32 5.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.967 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.616 ' O ' HG23 ' A' ' 134' ' ' THR . 7.0 p -100.83 -43.63 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.616 HG23 ' O ' ' A' ' 133' ' ' VAL . 0.7 OUTLIER -166.43 179.27 5.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.439 HG12 ' CB ' ' A' ' 145' ' ' PRO . 4.0 m -121.47 89.67 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.14 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.9 112.92 0.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -100.49 24.25 9.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.088 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -105.64 135.06 47.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.526 ' HA ' ' C ' ' A' ' 140' ' ' PRO . 24.2 p90 -80.25 153.99 74.44 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.683 0.754 . . . . 0.0 110.948 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 139' ' ' TYR . 54.1 Cg_endo -69.69 147.88 85.4 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.715 -1.785 . . . . 0.0 112.375 -0.161 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -174.99 179.57 1.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -122.87 -177.44 3.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -78.98 -3.03 42.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.942 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.3 t -91.54 152.88 43.93 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.689 0.757 . . . . 0.0 110.867 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.457 ' HG2' HD12 ' A' ' 181' ' ' LEU . 54.4 Cg_endo -69.73 -169.82 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.695 2.264 . . . . 0.0 112.381 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.732 ' CG2' HG22 ' A' ' 111' ' ' THR . 77.5 t -127.14 107.93 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.715 HG22 HD13 ' A' ' 181' ' ' LEU . 11.9 m -147.81 137.33 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 14.9 p -104.95 122.56 46.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.096 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -108.94 136.63 48.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 16.4 p -147.71 155.39 41.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 19.5 m -69.45 156.26 39.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.927 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 33.8 t -150.17 164.42 35.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.9 p -119.35 8.18 11.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.8 p -161.24 87.25 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.7 t -69.13 105.19 2.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 12.6 p -150.51 148.45 15.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -71.53 106.89 4.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.063 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 7.0 m -88.91 89.25 7.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.182 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -155.75 77.35 4.67 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.638 0.732 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -87.35 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.698 2.265 . . . . 0.0 112.299 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -98.71 1.37 46.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . 0.493 ' HA ' ' HB2' ' A' ' 166' ' ' ALA . 3.9 t 65.42 18.93 11.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . 0.435 HG22 ' O ' ' A' ' 163' ' ' ILE . 17.5 mt -100.61 46.5 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.134 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 162.38 99.15 0.14 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.537 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 50.14 68.48 0.75 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.753 0.311 . . . . 0.0 111.122 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . 0.493 ' HB2' ' HA ' ' A' ' 162' ' ' SER . . . -100.38 37.91 1.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.062 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -71.06 -170.02 0.42 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.84 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.19 115.69 28.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 2.5 mp -101.94 114.79 42.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.149 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -109.02 107.8 18.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 7.0 p -119.16 164.3 15.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 4.9 p -156.4 -175.58 5.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . 0.646 ' CE2' ' HB2' ' A' ' 127' ' ' ALA . 84.2 m-85 -131.92 36.06 3.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.813 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -140.69 140.72 34.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.34 122.6 14.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 14.5 mt 57.17 35.11 25.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 1.8 p -51.88 -24.76 6.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.895 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -142.14 116.56 9.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 14.9 p -100.71 4.99 43.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -83.13 153.96 24.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.715 HD13 HG22 ' A' ' 147' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.842 0.353 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.67 125.13 25.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.936 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 21.0 mtmt -121.55 137.33 54.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.421 ' O ' HG23 ' A' ' 105' ' ' THR . 5.9 m -138.0 146.17 42.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -69.69 87.13 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 103' ' ' CYS . 2.2 p -119.86 126.84 51.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.156 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 12.6 p -82.95 159.57 22.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -95.71 -4.35 44.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -131.49 70.3 81.64 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.675 0.75 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.433 ' HB3' HG22 ' A' ' 148' ' ' THR . 53.6 Cg_endo -69.77 69.26 1.66 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.679 2.253 . . . . 0.0 112.343 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 3.6 mmt -151.04 -56.79 0.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 11.8 t -57.99 147.84 27.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.142 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.4 ' HA ' ' HA ' ' A' ' 145' ' ' PRO . 1.4 t -82.02 8.31 10.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -64.72 -159.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.049 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.9 m -58.9 -63.35 1.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.834 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 1.5 t 65.78 44.36 2.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.482 ' NE ' HH12 ' A' ' 149' ' ' ARG . 1.9 mmt-85 -137.76 97.19 3.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.5 m -130.11 143.65 50.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.17 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 59.8 mt -68.43 118.58 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.179 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 38.8 m -130.92 146.01 52.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.96 123.06 32.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 89.1 m -78.7 -177.56 5.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.566 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 15.2 mmtt -82.1 161.66 59.53 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.618 0.723 . . . . 0.0 110.899 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.566 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.6 Cg_endo -69.76 -29.34 24.02 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.71 2.273 . . . . 0.0 112.343 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -74.68 -27.7 60.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -81.58 152.91 26.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 17.2 p -146.24 14.87 1.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.545 ' HB2' ' CE2' ' A' ' 173' ' ' PHE . . . -150.35 153.51 36.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.129 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 49.5 m -103.8 159.36 15.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 2.5 ttt -135.52 138.9 43.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 2.6 m -130.9 149.21 52.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.125 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -127.5 115.35 18.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.176 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.564 HD11 ' CD2' ' A' ' 170' ' ' PHE . 1.3 mt -105.6 107.49 18.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.594 HG22 HG22 ' A' ' 135' ' ' VAL . 2.6 p -101.13 100.11 9.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.155 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 10.0 t -100.15 39.4 1.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.594 HG22 HG22 ' A' ' 133' ' ' VAL . 29.8 m -66.42 -39.38 83.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -154.83 84.37 1.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -100.46 25.5 7.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.07 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -76.57 157.23 32.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.522 ' HA ' ' C ' ' A' ' 140' ' ' PRO . 2.6 p90 -80.62 157.79 71.82 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.655 0.741 . . . . 0.0 110.951 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 139' ' ' TYR . 53.8 Cg_endo -69.72 -48.87 0.25 Allowed 'Cis proline' 0 C--O 1.231 0.155 0 C-N-CA 122.724 -1.782 . . . . 0.0 112.344 -0.071 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -160.62 -175.57 5.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -128.33 158.06 39.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -69.91 -25.96 63.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 2.0 m -82.29 160.4 62.6 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.644 0.735 . . . . 0.0 110.831 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.4 ' HA ' ' HA ' ' A' ' 112' ' ' SER . 53.8 Cg_endo -69.7 175.37 8.14 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.668 2.245 . . . . 0.0 112.37 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.85 HG12 HG13 ' A' ' 147' ' ' VAL . 41.6 t -89.63 -64.41 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.85 HG13 HG12 ' A' ' 146' ' ' VAL . 6.4 m -147.95 137.18 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.166 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.433 HG22 ' HB3' ' A' ' 109' ' ' PRO . 1.4 p -107.75 116.33 31.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.482 HH12 ' NE ' ' A' ' 116' ' ' ARG . 5.1 ttm105 -106.17 134.52 49.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.1 m -145.58 157.99 43.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.823 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 12.4 m -69.68 152.39 44.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 45.8 t -145.82 148.4 32.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 12.3 p -103.05 13.72 33.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.8 p -170.15 93.07 0.22 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.2 t -68.58 106.84 2.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 14.0 t -145.66 154.6 13.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.068 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -70.16 102.47 2.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 19.3 m -100.47 93.0 5.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.141 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -139.51 79.89 23.56 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.55 0.69 . . . . 0.0 110.844 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -8.67 24.2 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.327 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -75.05 -59.02 2.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.1 t 65.62 20.13 11.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.804 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 11.3 mt -146.42 111.8 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 97.08 -29.91 9.9 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 48.77 34.28 5.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.832 0.349 . . . . 0.0 111.105 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -74.36 -18.36 60.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -99.99 91.73 4.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . 0.458 HD22 ' N ' ' A' ' 168' ' ' LEU . 1.7 mm? -85.25 128.41 34.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 3.8 mp -110.64 112.92 42.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.134 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . 0.564 ' CD2' HD11 ' A' ' 132' ' ' LEU . 10.8 m-85 -109.99 114.07 27.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.8 p -124.62 157.31 35.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.849 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 3.8 p -149.86 -175.63 5.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . 0.545 ' CE2' ' HB2' ' A' ' 127' ' ' ALA . 78.1 m-85 -133.3 32.44 3.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -140.96 139.76 34.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.93 126.33 25.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 6.4 mt 50.78 38.41 19.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 6.2 p -49.02 -25.3 1.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -138.94 163.3 32.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 1.9 t -171.48 92.34 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -140.07 154.89 47.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 2.3 tt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.967 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.2 ptm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.833 0.349 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.44 124.0 24.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.71 131.94 56.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 13.4 m -130.49 148.54 52.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -72.88 76.56 1.16 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.6 p -109.54 126.39 53.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.185 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 7.6 p -83.57 175.41 9.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.97 -45.33 67.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -150.44 160.5 32.81 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.644 0.735 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 132.49 23.42 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.687 2.258 . . . . 0.0 112.369 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.692 ' HB3' ' HB3' ' A' ' 113' ' ' ALA . 3.6 ttp -154.99 164.48 38.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.845 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.645 ' HA ' HG12 ' A' ' 146' ' ' VAL . 23.2 p -80.76 -74.58 0.31 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.1 p -50.18 -50.71 48.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.692 ' HB3' ' HB3' ' A' ' 110' ' ' MET . . . -51.49 102.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.703 ' O ' HD11 ' A' ' 181' ' ' LEU . 1.1 t -51.61 -24.24 5.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 42.3 t 63.91 71.05 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.432 ' HG3' HD21 ' A' ' 181' ' ' LEU . 33.6 mmm-85 -143.3 68.6 1.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.7 m -115.88 133.96 55.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 68.0 mt -68.04 106.72 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 40.3 m -117.95 144.05 45.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -88.81 124.23 33.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 96.3 m -80.21 -177.3 6.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.54 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 11.8 mttt -82.1 161.89 58.75 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.547 0.689 . . . . 0.0 110.927 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.54 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.3 Cg_endo -69.78 -30.88 21.49 Favored 'Trans proline' 0 C--N 1.34 0.119 0 C-N-CA 122.695 2.263 . . . . 0.0 112.315 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -73.39 -29.22 62.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -80.16 153.06 28.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 23.0 p -146.76 17.33 1.27 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.56 ' HB2' ' CE2' ' A' ' 173' ' ' PHE . . . -150.63 155.94 40.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 84.5 m -104.69 160.53 14.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.3 ttt -137.28 141.24 41.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.4 m -133.94 147.61 51.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.1 m -119.84 105.49 11.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.157 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.497 HD13 ' C ' ' A' ' 132' ' ' LEU . 3.0 tm? -96.83 109.12 21.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 4.3 m -149.46 107.68 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 3.0 m -87.66 118.73 27.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 42.5 t -106.61 -70.36 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -152.44 150.24 29.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -178.92 101.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.08 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -151.82 168.93 23.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.927 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.498 ' HA ' ' C ' ' A' ' 140' ' ' PRO . 5.8 m-85 -53.98 160.86 2.03 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.679 0.752 . . . . 0.0 110.928 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 139' ' ' TYR . 53.7 Cg_endo -69.78 -20.05 10.97 Favored 'Cis proline' 0 C--O 1.231 0.163 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.307 -0.031 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -52.79 151.21 4.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -111.15 31.33 6.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.833 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -86.28 174.19 9.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . 0.498 ' N ' ' HD2' ' A' ' 145' ' ' PRO . 1.1 m 179.83 -60.26 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.662 0.744 . . . . 0.0 110.88 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 144' ' ' SER . 53.8 Cg_endo -69.69 95.69 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.703 2.269 . . . . 0.0 112.364 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.645 HG12 ' HA ' ' A' ' 111' ' ' THR . 4.7 m -112.36 91.03 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.113 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.403 HG12 ' HA ' ' A' ' 132' ' ' LEU . 9.1 m -146.47 141.76 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 39.7 p -109.13 119.18 38.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 8.4 ttm105 -107.53 135.93 48.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 72.1 p -148.34 157.46 43.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 16.2 m -69.75 154.11 42.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 36.5 t -149.61 153.13 36.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.833 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 1.5 p -109.78 6.8 23.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.828 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 4.2 p -157.61 86.29 0.92 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -68.73 115.18 7.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.832 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.402 HG22 ' N ' ' A' ' 157' ' ' ALA . 8.6 p -150.51 157.34 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . 0.402 ' N ' HG22 ' A' ' 156' ' ' VAL . . . -93.37 111.37 23.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.114 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.457 ' O ' HG23 ' A' ' 158' ' ' THR . 2.4 t -85.66 93.98 8.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -138.94 80.35 24.6 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.578 0.704 . . . . 0.0 110.887 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -86.85 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.657 2.238 . . . . 0.0 112.398 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.53 -35.02 72.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.834 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 8.6 t 58.0 23.67 10.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.842 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 69.3 mt -69.08 -20.99 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.13 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -130.35 -38.34 0.31 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 48.9 36.68 8.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.771 0.319 . . . . 0.0 111.105 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -80.64 -16.93 52.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.05 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -100.78 85.8 2.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -79.68 115.64 19.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 44.0 mm -97.82 120.57 47.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -113.02 109.23 18.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 9.6 p -119.46 165.51 14.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 21.1 p -161.76 -169.26 2.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 127' ' ' ALA . 54.4 m-85 -138.94 32.01 2.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -130.65 141.74 50.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.27 119.55 10.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 13.1 mt 61.99 28.85 17.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 2.8 p -55.44 -25.58 37.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -102.5 87.26 2.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -94.62 25.74 3.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -151.38 156.6 41.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.703 HD11 ' O ' ' A' ' 114' ' ' SER . 4.1 mm? . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.849 0.357 . . . . 0.0 110.838 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.42 HD12 ' N ' ' A' ' 127' ' ' ALA . 0.0 OUTLIER -80.75 120.59 24.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.75 122.89 42.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 8.5 m -133.29 145.71 50.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -72.58 76.76 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.6 p -111.89 128.35 56.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 11.2 p -82.94 -175.02 5.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -68.14 -65.7 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -130.84 157.91 76.51 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.659 0.742 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.751 ' HB3' HG21 ' A' ' 148' ' ' THR . 53.7 Cg_endo -69.78 91.21 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.687 2.258 . . . . 0.0 112.301 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -105.73 132.51 51.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.889 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.735 ' HA ' HG23 ' A' ' 146' ' ' VAL . 18.3 p -52.28 -75.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.126 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 97.4 p -80.5 92.97 5.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -178.15 132.11 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 51.1 p -52.89 -36.98 60.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 49.7 t 51.28 64.41 1.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 6.9 mmt-85 -140.22 95.68 2.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.921 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 41.9 m -141.88 135.09 29.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 57.7 mt -68.57 103.75 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.1 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 24.3 m -112.49 142.56 44.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 -89.36 122.52 32.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 82.3 m -81.36 -174.82 5.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.559 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.1 OUTLIER -83.11 162.29 54.92 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.587 0.708 . . . . 0.0 110.906 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.559 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.9 Cg_endo -69.71 -29.36 24.22 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.689 2.26 . . . . 0.0 112.357 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -74.94 -26.3 59.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -83.07 149.49 26.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 15.7 p -145.25 15.65 1.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.152 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.42 ' N ' HD12 ' A' ' 101' ' ' LEU . . . -150.5 141.68 23.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 60.9 m -91.46 165.13 13.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 5.3 ttp -140.86 144.53 35.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.4 m -136.26 155.14 50.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.126 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 10.0 m -131.89 125.54 31.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.743 ' HA ' HG12 ' A' ' 147' ' ' VAL . 9.8 tt -123.66 119.3 29.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 5.8 m -139.87 116.63 9.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 73.8 p -146.92 124.58 11.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.114 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 94.3 t -122.56 -38.16 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -132.0 -170.36 2.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -175.29 99.04 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -163.57 164.99 24.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.523 ' HA ' ' C ' ' A' ' 140' ' ' PRO . 2.0 p90 -50.67 157.17 1.36 Allowed Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.682 0.753 . . . . 0.0 110.919 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 139' ' ' TYR . 53.2 Cg_endo -69.84 -17.61 12.03 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.323 0.029 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -51.36 152.45 2.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -121.61 176.33 5.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.905 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -69.41 110.54 4.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.7 m -175.87 161.25 2.0 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.689 0.757 . . . . 0.0 110.857 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.574 ' HB3' HD23 ' A' ' 181' ' ' LEU . 54.2 Cg_endo -69.7 145.31 57.09 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.709 2.273 . . . . 0.0 112.344 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.735 HG23 ' HA ' ' A' ' 111' ' ' THR . 7.7 p -130.96 34.23 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.142 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.743 HG12 ' HA ' ' A' ' 132' ' ' LEU . 18.8 m -105.35 133.72 48.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.751 HG21 ' HB3' ' A' ' 109' ' ' PRO . 7.7 p -99.04 165.36 11.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.169 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 12.5 ttt180 -143.28 136.36 27.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.1 m -146.43 157.46 43.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.838 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 16.7 m -69.81 155.97 39.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 37.1 t -150.87 163.17 39.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 3.3 p -120.79 7.27 10.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.5 p -160.51 86.76 0.74 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.824 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.1 t -68.79 110.33 4.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 21.7 t -145.75 150.21 15.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . 0.426 ' O ' HG23 ' A' ' 158' ' ' THR . . . -90.21 108.92 20.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.089 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.426 HG23 ' O ' ' A' ' 157' ' ' ALA . 0.8 OUTLIER -158.05 108.94 2.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.175 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.99 114.46 33.06 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.585 0.707 . . . . 0.0 110.881 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -7.78 21.93 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.711 2.274 . . . . 0.0 112.327 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -92.98 -45.55 7.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.859 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.2 t 60.01 19.5 8.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.833 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 42.0 mm -87.67 -21.8 7.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.075 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 162.35 36.56 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.485 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 50.55 35.16 10.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.793 0.33 . . . . 0.0 111.092 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -79.66 -16.16 56.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -100.46 93.39 5.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -77.21 123.11 25.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 4.2 mp -107.61 108.69 25.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.104 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -103.09 108.48 19.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 9.0 p -122.8 157.54 32.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 3.5 p -149.79 -176.79 5.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -129.66 29.72 4.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -137.26 139.57 41.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.49 124.4 19.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 10.0 mt 54.39 36.64 25.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 2.8 p -50.16 -25.33 3.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -139.49 114.09 9.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 5.3 t -100.71 25.4 7.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.817 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -140.76 138.89 34.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.675 HD13 ' H ' ' A' ' 181' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.928 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 4.4 ttp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.81 0.338 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.446 HD12 ' CA ' ' A' ' 126' ' ' THR . 0.0 OUTLIER -72.03 122.49 20.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.953 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -119.14 123.04 43.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 33.0 m -118.96 151.53 38.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -76.28 76.82 3.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.952 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.6 p -110.18 123.83 50.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 9.8 p -83.91 163.65 19.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.84 -73.6 0.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -94.62 153.42 40.23 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.622 0.725 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 95.95 0.58 Allowed 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.654 2.236 . . . . 0.0 112.346 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -153.15 91.22 1.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.421 ' HB ' HG23 ' A' ' 146' ' ' VAL . 11.2 m -77.28 -16.21 59.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 84.3 p -50.49 -30.91 13.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -123.13 -164.1 1.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.083 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 21.8 m -68.07 88.69 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 1.7 t -93.1 34.21 1.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.58 84.5 2.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.5 m -104.53 143.46 33.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 62.7 mt -68.4 97.65 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 48.2 m -109.35 142.68 39.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.166 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.37 119.2 29.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 79.1 m -80.35 175.12 10.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.422 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 8.4 mtmm -69.22 162.26 67.12 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.608 0.718 . . . . 0.0 110.877 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.422 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.8 Cg_endo -69.78 -28.69 24.87 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.681 2.254 . . . . 0.0 112.312 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -78.69 -29.98 45.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -74.46 148.02 41.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.446 ' CA ' HD12 ' A' ' 101' ' ' LEU . 14.3 p -145.9 15.98 1.39 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -151.05 144.17 24.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.111 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 17.1 m -92.21 158.59 16.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 2.0 ttt -134.04 146.52 50.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.7 m -138.25 142.51 39.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.171 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.3 m -111.43 103.6 11.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.156 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.594 ' HA ' HG12 ' A' ' 147' ' ' VAL . 13.7 tp -104.39 104.49 14.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.668 HG13 ' O ' ' A' ' 166' ' ' ALA . 27.8 t -142.12 113.09 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 11.9 t -160.48 148.38 16.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 21.8 t -107.72 -27.85 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.159 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -134.81 168.39 19.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -172.46 97.91 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -157.63 154.85 29.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.519 ' HA ' ' C ' ' A' ' 140' ' ' PRO . 23.8 m-85 -70.76 158.72 87.35 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.735 0.779 . . . . 0.0 110.884 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 139' ' ' TYR . 53.3 Cg_endo -69.81 176.43 32.76 Favored 'Cis proline' 0 C--N 1.342 0.224 0 C-N-CA 122.629 -1.821 . . . . 0.0 112.335 -0.024 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -50.56 164.39 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -111.25 138.25 47.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 11.9 tm0? -74.71 -24.64 58.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 3.6 m -86.74 157.91 54.42 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.693 0.759 . . . . 0.0 110.88 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 167.49 24.32 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.676 2.251 . . . . 0.0 112.334 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.575 HG12 HG13 ' A' ' 147' ' ' VAL . 49.3 t -124.45 -45.53 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.12 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.594 HG12 ' HA ' ' A' ' 132' ' ' LEU . 8.8 m -146.55 151.97 13.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 6.6 p -128.27 126.18 40.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -103.55 131.93 50.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.3 m -141.93 156.62 45.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.831 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 32.4 m -68.68 155.29 40.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 47.1 t -150.36 159.51 44.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.3 p -116.54 16.55 15.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.8 p -169.09 91.61 0.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.6 t -69.18 107.51 3.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 21.6 t -145.01 150.3 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -86.49 107.93 18.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.412 ' O ' HG23 ' A' ' 158' ' ' THR . 1.8 t -100.59 92.14 4.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.137 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -136.71 83.08 30.81 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.604 0.716 . . . . 0.0 110.883 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -7.65 21.6 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.674 2.249 . . . . 0.0 112.34 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -86.32 -58.56 2.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.897 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.2 t 64.56 17.28 10.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 10.5 mt -146.69 112.32 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.119 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 98.54 -21.11 47.64 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.469 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 49.44 39.33 16.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.841 0.353 . . . . 0.0 111.08 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . 0.668 ' O ' HG13 ' A' ' 133' ' ' VAL . . . -74.71 -5.75 44.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 65.7 m80 -139.54 90.54 2.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . 0.517 ' C ' HD12 ' A' ' 169' ' ' ILE . 0.3 OUTLIER -97.95 153.66 18.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.517 HD12 ' C ' ' A' ' 168' ' ' LEU . 5.3 mp -143.4 110.93 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.174 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -98.31 147.36 24.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.3 p -151.17 158.77 44.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 28.8 p -150.18 178.71 8.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -131.97 35.25 3.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 9.2 mmt180 -139.07 137.52 36.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.32 120.74 9.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 14.4 mt 61.18 33.07 19.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 11.9 p -50.1 -26.23 4.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -101.55 67.19 1.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 75.3 p -94.89 32.92 1.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -84.74 -14.89 46.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.497 HD13 ' C ' ' A' ' 181' ' ' LEU . 3.3 tm? . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.4 ptp . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.839 0.352 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.77 124.18 24.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -114.78 126.83 55.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 7.1 m -131.1 145.5 52.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -71.4 81.19 0.77 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.8 p -113.55 125.51 54.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.118 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 18.1 p -83.14 156.0 23.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.7 pttt -97.77 18.16 16.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -150.16 77.77 8.18 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.652 0.739 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 93.22 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.677 2.251 . . . . 0.0 112.371 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 2.6 ptt? -128.94 -173.36 2.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 21.4 p -74.66 -74.45 0.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.144 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 98.2 p -78.99 95.59 5.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -175.08 128.51 0.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.113 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.0 m -59.88 -36.13 76.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.825 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 42.1 t 57.23 76.46 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 10.1 mtm180 -145.75 97.57 2.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.863 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 24.3 m -150.58 132.49 15.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 61.2 mt -68.46 110.13 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 34.6 m -118.64 143.87 46.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.124 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 17.5 mtt180 -89.5 123.49 33.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 97.7 m -80.65 -178.69 6.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.538 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 1.2 mttt -80.72 161.8 62.59 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.593 0.711 . . . . 0.0 110.854 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.538 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.5 Cg_endo -69.76 -28.96 24.6 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.692 2.261 . . . . 0.0 112.337 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -75.33 -29.29 59.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -80.64 152.35 28.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 15.3 p -146.66 16.54 1.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.478 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -149.24 151.53 34.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.141 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 57.0 m -103.29 156.3 17.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.3 ttt -131.95 139.24 48.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 20.3 m -128.2 138.77 52.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.124 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . 0.494 ' O ' HG12 ' A' ' 147' ' ' VAL . 97.5 m -117.24 129.14 55.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.194 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.622 ' HA ' HG12 ' A' ' 147' ' ' VAL . 19.5 tp -127.99 126.9 42.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 30.0 m -140.45 -174.65 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.163 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 13.7 p -70.17 132.01 45.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.954 HG12 HG12 ' A' ' 146' ' ' VAL . 18.0 m -70.48 160.65 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -113.49 154.02 27.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -99.99 28.03 5.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.064 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -90.14 157.76 17.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.535 ' HA ' ' C ' ' A' ' 140' ' ' PRO . 16.9 p90 -80.08 153.44 74.72 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.696 0.76 . . . . 0.0 110.887 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 139' ' ' TYR . 53.7 Cg_endo -69.74 175.43 36.54 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.37 -0.077 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -97.9 151.61 20.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -164.56 152.8 12.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.896 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -98.71 12.17 36.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.1 m -100.47 154.96 36.9 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.712 0.768 . . . . 0.0 110.836 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.615 ' CD ' HD23 ' A' ' 181' ' ' LEU . 54.1 Cg_endo -69.69 -169.46 0.33 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.658 2.239 . . . . 0.0 112.39 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.954 HG12 HG12 ' A' ' 135' ' ' VAL . 3.4 p -145.45 112.7 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.156 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.622 HG12 ' HA ' ' A' ' 132' ' ' LEU . 1.5 m -146.02 132.63 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.137 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -99.39 104.49 16.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -94.68 136.87 34.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 25.4 m -148.27 156.08 42.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 13.2 m -69.39 152.76 44.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 42.3 t -149.02 150.5 32.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 10.3 p -103.71 15.17 29.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.82 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.0 p -166.43 92.51 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.836 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.6 t -67.89 107.56 2.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 59.9 t -149.81 143.73 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -71.16 -173.94 0.92 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.09 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.412 ' HB ' HD13 ' A' ' 169' ' ' ILE . 1.6 m -150.44 116.91 5.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.132 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -147.02 80.11 9.63 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.597 0.713 . . . . 0.0 110.905 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -87.04 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.694 2.263 . . . . 0.0 112.34 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -74.23 -24.26 59.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 2.6 p 62.32 17.42 9.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 22.7 mt -100.31 89.04 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.114 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 116.0 -36.42 3.84 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.488 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 49.51 34.79 7.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.757 0.313 . . . . 0.0 111.11 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -69.85 -17.09 63.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -100.01 94.23 6.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.35 132.82 37.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.412 HD13 ' HB ' ' A' ' 158' ' ' THR . 5.1 mp -122.65 121.33 63.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.157 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -117.59 113.42 21.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 16.2 p -121.76 162.67 20.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 2.7 p -152.86 -175.29 5.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . 0.478 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 55.7 m-85 -132.8 33.6 3.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 18.5 mtt180 -141.21 140.19 33.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.83 121.64 12.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 15.1 mt 58.99 36.29 24.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 2.4 p -50.97 -25.03 4.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 32.4 p30 -157.01 149.87 23.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 1.4 t -139.31 73.99 1.45 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -69.95 161.12 30.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.615 HD23 ' CD ' ' A' ' 145' ' ' PRO . 18.8 tp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 11.3 ttm . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.814 0.34 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.81 124.43 23.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -119.18 124.48 46.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 5.0 m -129.2 147.18 51.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.427 ' OH ' HD13 ' A' ' 176' ' ' LEU . 35.9 m-85 -72.0 80.6 0.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.985 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.5 p -111.44 127.18 55.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.146 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 16.3 p -82.79 177.16 8.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.69 -66.19 0.62 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -130.43 160.44 65.9 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.654 0.74 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 149.56 67.15 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.366 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.62 ' HB3' ' HB3' ' A' ' 113' ' ' ALA . 0.0 OUTLIER -175.59 163.85 2.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 16.5 p -80.12 -72.97 0.38 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.6 t -50.16 -48.69 53.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.843 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.62 ' HB3' ' HB3' ' A' ' 110' ' ' MET . . . -52.1 102.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.131 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.0 m -52.6 -23.86 7.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 45.1 t 62.77 79.45 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 27.3 mmm-85 -150.34 95.96 2.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 11.4 m -149.01 134.23 18.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 60.1 mt -67.91 117.54 9.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.117 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 36.9 m -128.63 143.17 50.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.24 123.48 34.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 74.9 m -80.85 177.05 9.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.427 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 12.8 mtmt -69.93 161.91 71.99 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.589 0.709 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.427 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.3 Cg_endo -69.81 -28.94 24.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.342 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -77.83 -28.46 50.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.38 147.87 32.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 14.1 p -143.67 13.08 1.71 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.176 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.526 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -140.54 155.36 46.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.089 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 65.5 m -109.26 157.38 18.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.3 ttt -130.74 146.56 52.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 3.2 m -139.32 118.96 13.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -98.09 125.38 43.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.604 ' HA ' HG12 ' A' ' 147' ' ' VAL . 23.7 tp -128.73 120.79 27.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.933 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.432 HG13 HG22 ' A' ' 134' ' ' THR . 7.4 p -100.34 -39.92 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.432 HG22 HG13 ' A' ' 133' ' ' VAL . 11.6 t -177.16 -179.72 0.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.165 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.569 HG13 ' HA ' ' A' ' 145' ' ' PRO . 5.6 t -143.98 48.16 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.161 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -88.65 -176.64 5.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -87.19 55.83 3.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -56.47 174.51 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.553 ' HB3' ' HA ' ' A' ' 140' ' ' PRO . 2.9 m-85 -78.69 158.06 76.17 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.68 0.752 . . . . 0.0 110.897 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.553 ' HA ' ' HB3' ' A' ' 139' ' ' TYR . 54.1 Cg_endo -69.74 -49.36 0.23 Allowed 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.377 -0.093 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -146.12 -39.25 0.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -45.92 114.26 0.75 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -94.7 25.98 3.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.1 p -69.3 160.07 80.57 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.65 0.738 . . . . 0.0 110.88 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.569 ' HA ' HG13 ' A' ' 135' ' ' VAL . 53.6 Cg_endo -69.81 108.84 2.18 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.712 2.275 . . . . 0.0 112.328 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 110' ' ' MET . 4.0 p -89.92 115.28 29.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.604 HG12 ' HA ' ' A' ' 132' ' ' LEU . 25.1 m -147.72 146.18 18.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 10.0 p -106.26 101.14 10.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.173 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -92.29 127.58 37.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.1 t -139.4 174.73 10.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.856 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 18.8 m -80.67 155.51 26.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 29.1 t -150.32 143.8 25.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 12.7 p -104.75 13.27 31.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.7 p -163.55 88.24 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.819 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.8 t -69.23 110.52 4.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 77.3 t -150.0 143.61 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.106 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -99.85 111.88 24.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.07 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 2.7 m -161.73 128.42 3.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -136.39 79.77 41.37 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.628 0.728 . . . . 0.0 110.85 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -43.84 2.39 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.311 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -89.15 -59.51 2.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.1 t 59.98 20.05 9.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 69.7 mt -93.48 -21.43 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.118 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -110.77 59.58 0.35 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.504 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.428 ' HB1' ' HB ' ' A' ' 133' ' ' VAL . . . 50.9 29.61 4.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.81 0.338 . . . . 0.0 111.12 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -100.7 32.17 3.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.125 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -69.97 -78.4 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -84.94 121.14 27.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 66.5 mt -128.04 94.19 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -93.54 146.99 23.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 9.4 p -150.54 161.3 42.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 2.6 p -153.09 -176.02 5.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.952 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . 0.526 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 71.6 m-85 -132.23 33.26 3.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -140.39 139.96 35.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.74 124.04 18.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.427 HD13 ' OH ' ' A' ' 104' ' ' TYR . 11.7 mt 56.34 36.95 28.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 3.2 p -51.48 -23.38 3.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 9.6 p-10 -137.62 167.97 20.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 1.4 p -169.73 92.07 0.23 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.823 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.04 -77.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 3.1 mm? . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.994 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 3.3 ttm . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.834 0.35 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -70.06 124.78 24.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -119.84 125.84 49.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 3.9 m -128.51 149.46 50.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -72.13 79.34 0.95 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.8 p -115.61 128.59 56.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.169 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 13.5 p -82.61 -175.49 5.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.63 -65.26 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -146.21 160.35 42.92 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.695 0.759 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.489 ' HB3' HG21 ' A' ' 148' ' ' THR . 54.1 Cg_endo -69.78 90.02 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.651 2.234 . . . . 0.0 112.349 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 16.5 ptt? -164.08 -40.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 1.6 p -63.76 107.04 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.7 m -76.93 -41.13 44.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -50.88 -69.97 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.074 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.7 p -139.76 138.88 36.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 1.6 t -136.53 34.07 2.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.675 ' NH2' HG23 ' A' ' 147' ' ' VAL . 0.0 OUTLIER -129.55 91.18 3.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.927 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.7 m -116.89 147.48 42.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 49.6 mt -67.06 100.27 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 36.3 m -113.94 143.01 45.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.157 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.86 123.6 33.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 71.2 m -81.04 175.45 10.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.429 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.1 OUTLIER -71.02 161.58 77.33 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.581 0.705 . . . . 0.0 110.906 179.898 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.429 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.1 Cg_endo -69.76 -28.87 24.74 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.704 2.27 . . . . 0.0 112.315 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -76.81 -29.24 55.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -76.43 151.78 36.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 16.5 p -147.04 17.64 1.23 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -150.13 153.85 37.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.131 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 58.2 m -107.16 155.25 20.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.846 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 5.2 ttp -129.01 141.35 51.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 27.7 m -131.86 123.06 26.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 86.6 m -95.58 115.72 27.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.744 ' HA ' HG12 ' A' ' 147' ' ' VAL . 6.2 tt -119.58 123.33 43.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.618 HG22 HG12 ' A' ' 135' ' ' VAL . 8.6 p -101.65 114.1 39.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.158 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.7 m -84.99 68.49 10.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.618 HG12 HG22 ' A' ' 133' ' ' VAL . 10.4 p -129.62 -37.84 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.101 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . 0.504 ' CD ' HG22 ' A' ' 135' ' ' VAL . 3.8 mp0 -151.88 88.91 1.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -96.56 23.92 6.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -161.36 178.92 8.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.529 ' HA ' ' C ' ' A' ' 140' ' ' PRO . 1.0 OUTLIER -54.9 157.09 5.97 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.699 0.762 . . . . 0.0 110.882 -179.824 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 139' ' ' TYR . 53.7 Cg_endo -69.72 175.64 35.62 Favored 'Cis proline' 0 C--O 1.232 0.2 0 C-N-CA 122.723 -1.782 . . . . 0.0 112.35 -0.074 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -96.84 171.38 8.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.842 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -137.29 -175.85 4.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -94.26 24.68 4.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.9 m -140.36 161.37 55.46 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.661 0.743 . . . . 0.0 110.871 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 176.15 7.13 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.745 2.297 . . . . 0.0 112.366 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.632 HG13 HG22 ' A' ' 147' ' ' VAL . 10.3 p -89.38 -33.5 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.141 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.744 HG12 ' HA ' ' A' ' 132' ' ' LEU . 26.8 m -148.89 151.79 12.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.14 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.489 HG21 ' HB3' ' A' ' 109' ' ' PRO . 16.5 p -117.54 114.59 23.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 -94.24 140.75 29.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 54.1 p -149.43 152.61 35.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 27.7 m -69.36 152.6 44.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 47.2 t -150.43 154.18 37.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.2 p -110.95 14.52 22.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.861 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.8 p -162.16 88.61 0.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.885 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.6 t -68.84 107.53 3.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 6.7 m -150.6 137.12 12.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . 0.54 ' O ' HG23 ' A' ' 158' ' ' THR . . . -94.36 108.11 20.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 157' ' ' ALA . 0.7 OUTLIER -162.77 124.99 2.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.084 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.29 125.61 92.05 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.605 0.717 . . . . 0.0 110.876 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . 0.579 ' HD2' ' HB1' ' A' ' 166' ' ' ALA . 53.2 Cg_endo -69.81 -87.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.647 2.231 . . . . 0.0 112.37 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.42 -4.78 28.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.853 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.4 t 66.28 20.43 11.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 12.0 mt -145.81 112.49 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.14 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 118.0 59.83 0.29 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.481 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 50.31 30.42 4.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.79 0.329 . . . . 0.0 111.116 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . 0.579 ' HB1' ' HD2' ' A' ' 160' ' ' PRO . . . -100.82 32.66 3.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -82.52 -77.75 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . 0.486 ' O ' HD13 ' A' ' 169' ' ' ILE . 3.1 mm? -89.44 128.39 35.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.486 HD13 ' O ' ' A' ' 168' ' ' LEU . 45.4 mm -134.28 94.08 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.088 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -89.47 149.42 22.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 7.1 p -150.86 160.42 43.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 3.8 p -150.13 -176.05 5.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -133.45 32.21 3.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.22 139.92 37.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.35 123.57 16.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 9.8 mt 56.35 37.06 28.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 4.2 p -50.41 -25.67 4.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -140.89 118.2 11.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.16 24.84 8.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.836 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.85 138.71 38.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.476 HD13 ' C ' ' A' ' 181' ' ' LEU . 2.5 tm? . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 47.2 tpp . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.779 0.323 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.93 125.29 26.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.886 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -119.68 126.48 51.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 8.0 m -127.92 152.37 47.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -76.12 67.89 2.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 7.3 p -93.18 121.81 34.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.163 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 10.3 p -83.17 -175.07 5.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.928 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 6.1 tttp -70.31 -74.16 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -144.69 161.41 43.58 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.61 0.719 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.606 ' HB3' HG23 ' A' ' 148' ' ' THR . 54.2 Cg_endo -69.73 77.78 1.04 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.691 2.261 . . . . 0.0 112.402 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 36.1 mtm -154.52 -43.18 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -50.88 120.68 5.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 29.0 m -80.09 -24.61 40.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -51.68 -78.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.083 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.5 m -179.08 131.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 50.9 t -76.78 77.69 3.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 8.5 mtt180 -138.93 97.83 3.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -146.14 122.91 11.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.147 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 55.5 mt -66.09 119.12 10.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 27.7 m -135.03 145.0 47.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.14 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -88.71 123.44 33.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 96.3 m -81.37 -175.66 5.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.568 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 20.4 mmtt -80.9 161.69 62.53 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.569 0.699 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.568 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.7 Cg_endo -69.76 -28.93 24.65 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.742 2.295 . . . . 0.0 112.336 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -75.79 -29.8 58.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -82.23 151.17 26.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 19.5 p -146.15 15.32 1.33 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.566 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -145.96 150.84 36.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 34.8 m -103.35 158.24 16.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -135.68 145.05 46.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . 0.444 HG23 ' HG3' ' A' ' 149' ' ' ARG . 0.3 OUTLIER -140.66 122.71 15.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.3 m -100.23 119.21 38.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.769 ' HA ' HG12 ' A' ' 147' ' ' VAL . 17.9 tp -121.39 120.3 34.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 6.1 m -139.77 111.34 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 9.2 t -141.9 150.42 41.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 70.8 t -130.04 -49.21 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -119.17 174.53 6.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -98.54 23.95 7.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -58.84 176.68 0.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.497 ' HA ' ' C ' ' A' ' 140' ' ' PRO . 12.5 m-85 -49.9 160.37 0.65 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.706 0.765 . . . . 0.0 110.942 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 139' ' ' TYR . 53.8 Cg_endo -69.82 176.2 33.72 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.324 -0.025 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -51.33 -29.89 16.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -59.08 -171.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -68.54 -73.51 0.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 6.1 p -168.08 62.47 0.56 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.678 0.751 . . . . 0.0 110.798 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 74.29 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.68 2.254 . . . . 0.0 112.332 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.473 ' O ' HG22 ' A' ' 146' ' ' VAL . 9.8 p -135.72 27.71 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.769 HG12 ' HA ' ' A' ' 132' ' ' LEU . 14.4 m -102.8 150.6 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.606 HG23 ' HB3' ' A' ' 109' ' ' PRO . 0.8 OUTLIER -128.32 108.72 10.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.194 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.444 ' HG3' HG23 ' A' ' 130' ' ' THR . 0.9 OUTLIER -92.04 129.92 37.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.929 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -143.31 168.68 19.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.882 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 6.0 m -76.75 152.04 35.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 37.4 t -149.48 143.98 26.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 19.9 p -96.64 15.73 20.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.9 p -168.76 96.26 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -66.96 113.95 5.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.56 HG22 ' H ' ' A' ' 157' ' ' ALA . 0.8 OUTLIER -139.08 173.57 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . 0.56 ' H ' HG22 ' A' ' 156' ' ' VAL . . . -138.42 -168.22 2.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.505 HG21 ' O ' ' A' ' 165' ' ' ALA . 14.7 p -139.17 127.33 22.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -69.64 161.06 76.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.563 0.697 . . . . 0.0 110.878 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 1.71 4.2 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.649 2.233 . . . . 0.0 112.33 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -66.09 -14.79 62.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 2.5 p 61.8 18.2 9.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 29.7 mm -69.25 -20.43 24.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.159 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -163.86 81.59 0.12 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.486 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.505 ' O ' HG21 ' A' ' 158' ' ' THR . . . 51.36 88.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.739 0.304 . . . . 0.0 111.054 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -86.57 60.8 6.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.072 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -99.74 164.83 11.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -72.75 88.38 1.3 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.945 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 85.3 mt -93.5 100.88 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.095 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -97.48 118.42 33.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 9.6 p -131.94 158.86 40.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 2.0 p -151.32 -175.61 5.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 64.3 m-85 -132.84 30.1 4.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 3.1 mpp_? -140.52 140.64 35.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -56.93 124.95 20.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 5.9 mt 53.5 38.0 27.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 13.2 p -47.18 -28.27 1.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.844 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -173.47 167.23 4.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -154.71 84.27 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.843 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -139.5 140.06 37.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 -179.942 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.844 0.354 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.37 124.7 24.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -118.69 135.72 54.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.865 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.639 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 11.2 m -133.14 142.04 48.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -69.54 85.19 0.43 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.439 HG23 ' O ' ' A' ' 103' ' ' CYS . 1.3 p -121.39 130.52 53.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 13.8 p -82.91 148.38 27.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.9 2.28 35.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -146.31 81.29 9.62 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.646 0.736 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.468 ' CB ' HG22 ' A' ' 148' ' ' THR . 53.7 Cg_endo -69.8 68.83 1.7 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.672 2.248 . . . . 0.0 112.365 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 3.2 mmt -147.77 -40.12 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 65.7 p -48.64 140.81 7.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.159 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.6 m -80.72 -2.64 47.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -158.97 146.72 17.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.04 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.4 t 66.45 79.84 0.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 1.5 t -136.86 43.42 2.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.926 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.29 94.83 2.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.7 m -118.29 150.12 40.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 57.4 mt -67.04 104.62 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 41.1 m -120.69 145.66 47.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.84 123.55 33.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.85 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.639 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 92.7 m -77.62 -178.4 5.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.545 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 9.6 mmtt -81.68 161.03 62.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.566 0.698 . . . . 0.0 110.907 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.545 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.7 Cg_endo -69.75 -29.44 23.92 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.72 2.28 . . . . 0.0 112.308 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -76.11 -25.83 55.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.954 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -84.09 154.44 23.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 19.7 p -147.8 17.85 1.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.158 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.554 ' HB2' ' CE2' ' A' ' 173' ' ' PHE . . . -150.16 153.52 36.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.094 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 64.7 m -104.1 155.55 18.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 1.2 ttt -131.4 138.13 48.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.8 m -130.28 120.51 24.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.156 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.3 m -98.58 117.41 32.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.687 ' HA ' HG12 ' A' ' 147' ' ' VAL . 10.7 tp -120.05 125.95 49.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 4.4 m -146.3 127.21 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.1 p -69.77 114.16 7.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.135 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.409 HG12 ' N ' ' A' ' 136' ' ' GLU . 4.1 t -103.36 159.53 4.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . 0.409 ' N ' HG12 ' A' ' 135' ' ' VAL . 38.3 mt-10 -49.68 159.77 0.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -94.52 22.63 5.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.076 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -59.15 145.92 40.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.54 ' HA ' ' C ' ' A' ' 140' ' ' PRO . 29.0 p90 -80.45 152.76 73.38 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.713 0.768 . . . . 0.0 110.864 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 139' ' ' TYR . 54.3 Cg_endo -69.69 148.26 86.2 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.662 -1.807 . . . . 0.0 112.35 -0.152 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -98.56 155.16 17.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -106.68 174.3 5.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -100.2 -11.43 20.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -140.15 160.96 58.06 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.682 0.753 . . . . 0.0 110.849 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 132.89 24.21 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.684 2.256 . . . . 0.0 112.312 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 10.5 p -89.51 137.16 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.687 HG12 ' HA ' ' A' ' 132' ' ' LEU . 16.6 m -150.29 149.91 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.468 HG22 ' CB ' ' A' ' 109' ' ' PRO . 2.6 p -107.49 101.93 11.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.159 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.83 139.66 30.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 81.0 p -150.08 152.65 35.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 20.8 m -69.57 154.76 41.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 38.1 t -150.26 157.62 43.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 1.7 p -110.65 9.08 22.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 4.9 p -159.62 88.44 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -68.49 124.07 22.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 25.6 m -132.68 -177.17 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.142 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -146.67 138.02 24.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 17.1 p -70.63 -165.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -78.68 136.44 59.2 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.635 0.731 . . . . 0.0 110.854 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -0.16 6.53 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.705 2.27 . . . . 0.0 112.307 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -67.4 -37.05 82.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 64.89 39.24 6.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 9.2 mt -146.56 114.09 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.121 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 88.42 101.83 0.96 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.524 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 48.99 38.29 12.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 0.0 111.104 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -93.7 64.49 3.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -69.37 132.08 45.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.59 101.79 1.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 85.5 mt -103.18 93.28 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -90.63 110.98 22.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 10.1 p -121.77 160.59 24.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 29.4 p -153.65 -170.37 3.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . 0.554 ' CE2' ' HB2' ' A' ' 127' ' ' ALA . 74.7 m-85 -138.58 31.81 2.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -134.45 141.4 46.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.819 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.28 123.99 18.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 10.5 mt 53.6 34.15 18.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.944 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 9.5 p -51.94 -25.76 8.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -100.89 154.06 18.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 3.3 m -161.07 78.31 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -93.47 -16.05 24.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -179.946 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 5.8 tpp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.865 0.364 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.83 123.92 22.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -117.38 130.43 56.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.565 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 3.8 m -130.04 149.67 51.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -74.45 72.46 1.86 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.8 p -102.36 126.88 49.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.151 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 15.5 p -82.42 150.63 26.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 42.9 mttt -70.62 -26.41 63.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.58 ' HB3' HG23 ' A' ' 111' ' ' THR . 36.6 mt-10 -113.66 74.98 2.49 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.659 0.742 . . . . 0.0 110.913 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -1.98 9.43 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.67 2.246 . . . . 0.0 112.339 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 2.4 mtt -97.4 -29.83 13.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.58 HG23 ' HB3' ' A' ' 108' ' ' GLU . 66.6 p -62.24 141.2 58.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.9 t -81.19 1.81 30.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.883 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -80.08 -161.39 0.35 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.4 p -62.88 175.39 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 45.1 t -161.41 81.34 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 -146.72 100.6 3.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 20.7 m -149.56 131.22 14.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 56.9 mt -68.8 111.2 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 30.9 m -123.5 145.17 49.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.01 125.4 34.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.565 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 85.2 m -80.13 -179.43 7.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.546 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 2.5 mttt -83.84 162.47 52.44 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.609 0.719 . . . . 0.0 110.887 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.546 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.9 Cg_endo -69.78 -28.89 24.58 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.676 2.251 . . . . 0.0 112.365 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -73.94 -30.73 62.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -81.71 154.61 25.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 23.5 p -146.84 15.53 1.21 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.15 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.428 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -148.0 157.44 43.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 83.1 m -110.96 153.94 24.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.841 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -126.42 143.12 51.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 2.5 m -137.87 110.17 7.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -96.62 123.71 40.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.116 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.824 ' HA ' HG12 ' A' ' 147' ' ' VAL . 10.2 tt -122.48 139.13 54.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.428 ' N ' HD23 ' A' ' 132' ' ' LEU . 5.3 p -139.51 119.28 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.2 m -96.79 110.99 23.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.64 HG12 ' H ' ' A' ' 137' ' ' ALA . 10.4 t -105.87 147.34 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.096 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -81.24 0.16 38.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.64 ' H ' HG12 ' A' ' 135' ' ' VAL . . . -174.17 99.26 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.093 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -85.43 4.28 36.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.53 ' HA ' ' C ' ' A' ' 140' ' ' PRO . 1.3 p90 -52.45 154.49 4.4 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.653 0.739 . . . . 0.0 110.933 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 139' ' ' TYR . 53.9 Cg_endo -69.77 -21.18 10.39 Favored 'Cis proline' 0 C--O 1.231 0.174 0 C-N-CA 122.674 -1.802 . . . . 0.0 112.342 -0.106 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -54.15 172.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -66.63 164.72 16.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -100.06 34.28 2.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.3 t -86.2 153.02 56.46 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.62 0.724 . . . . 0.0 110.87 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 103.55 1.18 Allowed 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.71 2.273 . . . . 0.0 112.353 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 3.5 p -105.81 130.61 57.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.824 HG12 ' HA ' ' A' ' 132' ' ' LEU . 25.9 m -137.85 139.76 42.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.115 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 6.8 p -97.48 95.66 7.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 7.3 ttm105 -92.77 118.14 30.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 5.5 m -136.59 160.35 39.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 13.9 m -69.57 153.02 44.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 44.5 t -149.58 147.85 28.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 4.6 p -98.93 13.25 33.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 4.4 p -161.04 91.6 0.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.8 t -66.99 110.09 3.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 24.3 m -128.14 175.16 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.157 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -152.95 -175.1 5.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.065 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.542 ' OG1' ' HB2' ' A' ' 165' ' ' ALA . 2.1 t -69.23 96.71 0.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -68.7 158.69 84.93 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.604 0.716 . . . . 0.0 110.854 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -4.26 13.66 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.686 2.257 . . . . 0.0 112.355 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -68.4 -12.96 61.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.857 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.1 t 58.65 20.79 8.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.865 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 39.9 mm -80.78 -19.79 11.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.167 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -132.11 -102.99 0.88 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.501 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.542 ' HB2' ' OG1' ' A' ' 158' ' ' THR . . . 51.71 34.38 12.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.784 0.326 . . . . 0.0 111.062 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -79.7 -17.83 52.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.068 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -163.01 163.54 26.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -71.83 119.84 16.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 5.6 mt -114.11 101.04 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.127 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -105.92 104.84 14.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 23.1 p -116.6 170.25 8.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 4.7 p -160.8 -174.93 4.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . 0.428 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 58.7 m-85 -133.68 31.89 3.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.01 140.53 36.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.67 125.01 21.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 13.9 mt 54.58 36.79 26.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.951 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 3.6 p -50.8 -24.77 3.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -140.78 123.74 16.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 6.9 p -100.67 -3.82 29.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -70.04 170.69 10.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.466 HD13 ' C ' ' A' ' 181' ' ' LEU . 2.5 tm? . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.816 0.341 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.411 HD12 ' CA ' ' A' ' 126' ' ' THR . 0.0 OUTLIER -71.02 123.92 23.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -119.72 126.39 50.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 9.6 m -131.63 150.06 52.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -69.83 85.09 0.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.3 p -126.46 134.33 50.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.133 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 9.3 p -81.41 159.96 24.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt -68.31 -34.62 76.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -150.29 161.47 30.63 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.664 0.745 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 68.16 1.71 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.692 2.261 . . . . 0.0 112.368 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.78 -177.93 5.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.473 HG22 ' O ' ' A' ' 143' ' ' GLN . 31.9 p -50.58 168.53 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.3 t -74.1 -6.52 48.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -51.04 -41.4 59.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.134 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.2 t -175.64 123.86 0.21 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 1.7 t -144.46 40.74 1.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.519 ' HD2' HD23 ' A' ' 181' ' ' LEU . 1.5 mtm180 -140.17 97.94 3.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.7 m -124.58 158.51 32.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.205 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 61.9 mt -67.36 95.66 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.109 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 25.0 m -110.56 142.78 41.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.74 122.36 33.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 72.2 m -79.99 178.37 8.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.58 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.4 OUTLIER -77.88 163.11 64.95 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.616 0.722 . . . . 0.0 110.901 179.906 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.58 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 54.0 Cg_endo -69.71 -29.26 24.38 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.688 2.259 . . . . 0.0 112.369 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -76.27 -27.56 56.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -85.56 150.0 24.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.411 ' CA ' HD12 ' A' ' 101' ' ' LEU . 30.3 p -147.42 20.51 1.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.66 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -150.24 144.19 25.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 4.9 m -95.31 156.48 16.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -133.24 141.01 47.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 2.7 m -132.71 144.98 50.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.173 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.5 m -122.31 105.57 10.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.676 ' HA ' HG12 ' A' ' 147' ' ' VAL . 0.4 OUTLIER -117.64 126.95 53.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.912 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 40.0 t -96.88 -48.02 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.165 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 3.7 m -143.23 149.52 38.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.138 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 7.3 p -125.29 -36.74 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.145 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -79.47 109.29 13.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -179.61 101.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.068 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -52.63 152.25 3.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.548 ' HA ' ' C ' ' A' ' 140' ' ' PRO . 1.0 OUTLIER -80.99 153.67 72.45 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.658 0.742 . . . . 0.0 110.929 -179.859 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 139' ' ' TYR . 53.6 Cg_endo -69.76 179.73 21.49 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.329 -0.044 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.472 ' CD1' ' N ' ' A' ' 141' ' ' PHE . 0.1 OUTLIER -118.67 -68.87 0.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.827 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -179.56 -179.07 0.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.473 ' O ' HG22 ' A' ' 111' ' ' THR . 21.2 pt20 -92.24 -6.7 49.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . 0.475 ' HB3' ' HD2' ' A' ' 145' ' ' PRO . 0.7 OUTLIER -101.45 159.95 27.98 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.713 0.768 . . . . 0.0 110.832 -179.807 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.475 ' HD2' ' HB3' ' A' ' 144' ' ' SER . 53.4 Cg_endo -69.8 146.11 58.98 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.696 2.264 . . . . 0.0 112.316 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.493 HG13 HG13 ' A' ' 147' ' ' VAL . 7.6 p -88.93 -35.34 7.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.676 HG12 ' HA ' ' A' ' 132' ' ' LEU . 4.2 m -145.86 146.52 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 2.8 p -124.1 120.72 33.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.478 ' NE ' HD21 ' A' ' 178' ' ' ASN . 0.2 OUTLIER -98.95 141.82 31.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 58.7 m -150.3 154.77 38.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 37.3 m -69.03 151.3 46.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.844 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 34.1 t -147.98 164.74 32.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.872 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.5 p -120.94 7.87 10.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.82 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.1 p -156.02 85.5 1.02 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -69.4 113.65 6.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 14.7 m -149.93 149.11 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -97.42 111.27 23.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 8.8 t -172.99 132.39 0.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.105 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.436 ' HA ' ' HD2' ' A' ' 160' ' ' PRO . 19.1 t0 -101.89 100.12 13.9 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.607 0.717 . . . . 0.0 110.845 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 159' ' ' ASP . 53.5 Cg_endo -69.77 -6.49 18.73 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.659 2.24 . . . . 0.0 112.339 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -69.29 -23.05 63.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.1 t 59.69 20.34 9.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 30.4 mm -82.66 -20.45 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.174 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 130.66 33.28 0.48 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.491 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 50.98 33.42 8.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.788 0.327 . . . . 0.0 111.076 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -74.37 -19.95 60.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.076 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -100.41 113.11 25.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.47 133.46 34.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 4.8 mp -110.61 114.02 45.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -102.05 117.04 33.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 7.8 p -128.6 158.97 37.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 4.9 p -149.23 -176.98 5.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . 0.66 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 61.6 m-85 -134.92 33.7 3.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -141.7 139.37 32.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.93 121.69 11.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 7.7 mt 60.81 36.25 19.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 8.7 p -49.84 -24.09 2.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . 0.478 HD21 ' NE ' ' A' ' 149' ' ' ARG . 1.7 p30 -137.84 171.92 13.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 97.0 p -176.23 80.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.83 -15.43 60.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.519 HD23 ' HD2' ' A' ' 116' ' ' ARG . 4.2 mm? . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.948 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.777 0.322 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.52 124.16 23.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.2 mtmm -113.46 130.16 56.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.895 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.607 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 7.6 m -134.41 141.92 46.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -69.93 89.88 0.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.8 p -125.77 128.77 48.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.134 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 21.5 p -82.18 161.35 22.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -85.37 -24.84 27.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.932 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -114.0 73.41 2.4 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.626 0.727 . . . . 0.0 110.941 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.407 ' CB ' HG22 ' A' ' 148' ' ' THR . 54.1 Cg_endo -69.77 -3.01 11.16 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.7 2.267 . . . . 0.0 112.341 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 8.6 mtt -93.33 -38.2 11.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.873 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 9.0 p -66.93 144.64 56.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.6 m -81.3 2.3 28.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -67.12 -161.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.102 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.411 ' CB ' HD11 ' A' ' 181' ' ' LEU . 9.8 m -73.59 141.09 46.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 49.0 t -130.75 73.63 1.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 46.1 mtp180 -148.42 96.36 2.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.5 m -149.63 140.53 22.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 57.3 mt -69.84 117.21 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 44.4 m -123.47 144.6 49.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 -89.33 124.36 34.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.607 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 79.0 m -80.41 -179.38 7.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.531 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 1.1 mttp -83.02 161.67 57.1 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.572 0.701 . . . . 0.0 110.947 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.531 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.7 Cg_endo -69.82 -30.13 22.49 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -74.88 -25.87 59.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -83.27 154.67 24.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 22.7 p -147.37 16.8 1.17 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.434 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -150.45 152.91 35.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.104 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 60.4 m -103.27 156.15 17.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 3.3 ttp -132.28 140.88 48.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -131.73 145.93 51.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . 0.565 HG23 ' HA ' ' A' ' 166' ' ' ALA . 64.6 m -121.88 113.77 20.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.535 HD22 ' N ' ' A' ' 133' ' ' VAL . 2.1 tm? -109.38 120.97 44.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.535 ' N ' HD22 ' A' ' 132' ' ' LEU . 5.7 m -100.62 99.33 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 6.8 t -70.82 -10.26 59.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 48.9 t -72.22 145.84 11.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.101 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -66.43 -170.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -176.5 99.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.071 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -56.27 152.27 11.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.525 ' HA ' ' C ' ' A' ' 140' ' ' PRO . 4.9 p90 -50.97 157.81 1.32 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.65 0.738 . . . . 0.0 110.887 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 139' ' ' TYR . 54.2 Cg_endo -69.67 150.87 90.59 Favored 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.351 -0.163 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -163.41 168.51 20.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 43.7 p-10 -99.95 179.66 4.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -83.16 -36.53 24.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . 0.476 ' CB ' HD22 ' A' ' 181' ' ' LEU . 3.7 m -92.12 158.84 38.71 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.655 0.74 . . . . 0.0 110.854 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 143.28 50.32 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.366 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 4.6 p -99.86 138.23 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.143 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.436 HG22 ' C ' ' A' ' 181' ' ' LEU . 16.9 m -147.66 136.4 15.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.407 HG22 ' CB ' ' A' ' 109' ' ' PRO . 0.7 OUTLIER -97.8 105.91 18.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 13.0 ttt-85 -100.04 137.07 39.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 11.1 p -149.54 152.43 35.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 24.0 m -69.26 156.85 38.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 47.3 t -150.32 161.5 42.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 1.5 p -114.14 14.21 18.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.5 p -163.09 88.97 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.826 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 4.2 t -69.49 103.92 2.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 7.0 m -150.34 118.8 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.148 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -69.84 101.15 1.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.084 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 1.4 m -163.09 124.52 2.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.1 114.21 30.85 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.632 0.729 . . . . 0.0 110.85 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -87.0 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.66 2.24 . . . . 0.0 112.344 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -99.64 -22.84 15.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.4 t 61.83 19.03 10.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 37.3 mm -93.15 -21.65 6.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -96.94 29.45 10.58 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.488 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . 53.27 40.63 31.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.808 0.337 . . . . 0.0 111.106 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . 0.565 ' HA ' HG23 ' A' ' 131' ' ' THR . . . -99.19 65.11 1.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 23.0 m-70 -69.21 -76.68 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -84.59 120.9 26.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 3.0 mp -112.13 114.25 46.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -111.07 113.85 26.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 21.4 p -122.98 164.6 18.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 4.6 p -155.59 -174.58 5.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . 0.434 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 59.4 m-85 -132.63 33.4 3.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 8.8 mtt-85 -141.89 139.96 32.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.06 124.98 21.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 15.0 mt 53.38 37.56 25.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.926 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 4.2 p -50.49 -24.15 2.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -138.54 -169.07 2.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 1.1 t -176.4 87.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -142.71 153.3 43.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.476 HD22 ' CB ' ' A' ' 144' ' ' SER . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.938 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.4 ptp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.805 0.336 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.87 127.42 32.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -120.59 138.48 53.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.692 ' SG ' ' SG ' ' A' ' 121' ' ' CYS . 6.4 m -136.29 145.55 45.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -72.05 82.01 0.96 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.0 p -112.68 124.06 51.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.139 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 21.4 p -83.56 171.98 12.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.0 mttp -100.2 -18.58 16.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.645 ' O ' HG22 ' A' ' 111' ' ' THR . 68.1 mm-40 -122.38 82.46 46.32 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.643 0.735 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.448 ' HB3' HG22 ' A' ' 148' ' ' THR . 53.8 Cg_endo -69.76 -1.09 7.87 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.691 2.261 . . . . 0.0 112.354 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -107.06 -0.78 22.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.853 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.645 HG22 ' O ' ' A' ' 108' ' ' GLU . 6.2 t -80.43 143.53 33.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.151 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.9 p -80.25 -3.03 47.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -68.72 -160.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.613 ' O ' HG23 ' A' ' 146' ' ' VAL . 1.7 m -71.19 -45.65 62.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 1.6 t 65.95 65.39 0.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 19.0 mtm105 -150.48 107.72 3.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.8 m -139.4 141.01 37.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 63.5 mt -69.65 118.04 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.111 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 54.4 m -132.66 145.08 50.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.145 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 14.4 mtt85 -89.66 124.14 34.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.692 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 72.3 m -76.1 174.71 9.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.443 ' HB3' ' HD2' ' A' ' 123' ' ' PRO . 0.1 OUTLIER -71.92 161.99 75.77 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.53 0.681 . . . . 0.0 110.96 179.893 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.443 ' HD2' ' HB3' ' A' ' 122' ' ' LYS . 53.5 Cg_endo -69.81 -28.42 25.05 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.674 2.249 . . . . 0.0 112.324 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -76.55 -28.98 56.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -77.85 153.95 32.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 22.9 p -146.58 15.29 1.25 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.461 ' HB2' ' CE1' ' A' ' 173' ' ' PHE . . . -150.67 154.61 37.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 61.4 m -107.09 159.73 16.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.68 146.07 52.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 4.1 m -139.94 114.38 9.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 99.1 m -104.75 133.6 49.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.472 ' HA ' HG12 ' A' ' 147' ' ' VAL . 15.0 tp -118.99 116.51 26.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.616 HG12 HG22 ' A' ' 135' ' ' VAL . 19.8 t -100.59 105.14 17.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.3 m -99.11 37.57 1.52 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.616 HG22 HG12 ' A' ' 133' ' ' VAL . 21.3 m -80.86 -170.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -48.88 165.11 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.701 ' HB1' ' CB ' ' A' ' 143' ' ' GLN . . . -165.57 92.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.137 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -155.21 -177.39 6.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.468 ' HA ' ' C ' ' A' ' 140' ' ' PRO . 3.1 m-85 -48.4 164.38 0.27 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.681 0.753 . . . . 0.0 110.94 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.468 ' C ' ' HA ' ' A' ' 139' ' ' TYR . 53.4 Cg_endo -69.77 -52.63 0.16 OUTLIER 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.375 -0.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -64.1 166.49 7.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -91.09 -177.07 4.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.701 ' CB ' ' HB1' ' A' ' 137' ' ' ALA . 18.1 mp0 -151.69 176.31 11.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.4 m -178.23 162.87 1.22 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.665 0.745 . . . . 0.0 110.826 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 63.96 1.78 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.685 2.257 . . . . 0.0 112.374 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 114' ' ' SER . 5.4 p -100.26 162.03 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.472 HG12 ' HA ' ' A' ' 132' ' ' LEU . 31.5 m -138.25 140.32 40.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.177 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.448 HG22 ' HB3' ' A' ' 109' ' ' PRO . 1.4 p -88.41 98.89 11.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 26.0 ttm-85 -88.98 135.09 33.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 5.0 m -150.05 150.11 31.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 20.6 m -68.0 153.65 43.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 44.8 t -149.93 149.21 30.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 8.3 p -100.16 14.35 31.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.5 p -166.52 94.0 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.0 t -66.82 112.81 4.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 16.0 m -140.82 141.69 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -97.71 -167.07 1.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.107 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.727 HG23 ' HB2' ' A' ' 165' ' ' ALA . 89.4 m -68.46 97.25 0.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.422 ' HB3' ' HD2' ' A' ' 160' ' ' PRO . 0.7 OUTLIER -68.97 156.22 91.92 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.605 0.717 . . . . 0.0 110.88 179.904 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . 0.422 ' HD2' ' HB3' ' A' ' 159' ' ' ASP . 53.2 Cg_endo -69.79 -2.31 9.97 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.695 2.263 . . . . 0.0 112.325 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -67.6 -18.72 65.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 57.4 27.31 13.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 30.0 mt -69.57 -20.03 23.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -155.22 -89.66 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.727 ' HB2' HG23 ' A' ' 158' ' ' THR . . . 53.44 33.9 17.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 0.0 111.067 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -74.9 -19.46 60.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.09 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . 0.449 ' CD2' HG13 ' A' ' 133' ' ' VAL . 42.7 m80 -150.21 167.45 26.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -74.35 121.68 21.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 70.4 mt -101.44 124.3 55.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -131.19 103.02 6.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 12.2 p -113.51 166.31 11.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 172' ' ' CYS . . . . . . . . . . . . . 4.6 p -154.74 -175.42 5.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . 0.461 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 55.4 m-85 -133.93 38.42 3.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -145.88 139.26 26.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.11 123.57 16.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 15.6 mt 56.13 36.93 28.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 1.9 p -51.23 -24.0 3.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -139.46 106.69 5.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 8.1 t -100.73 7.74 43.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.85 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -82.8 170.79 14.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 2.3 tt . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.976 . . . . . . . . 0 0 . 1 stop_ save_