data_2d9g_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 2d9g _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.1 p90 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.862 0.363 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 10.7 p-90 -110.63 129.77 55.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -81.14 114.44 19.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.895 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 46.5 t -56.93 164.41 1.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.0 p -114.91 -33.27 5.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 83.4 t -65.2 -56.27 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.48 ' SG ' ' CG ' ' A' ' 30' ' ' MET . 31.7 p -106.75 -1.33 22.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.3 p 55.07 32.27 17.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.15 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.409 ' CG ' ' N ' ' A' ' 20' ' ' ARG . 47.4 t80 -90.52 160.45 15.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.409 ' N ' ' CG ' ' A' ' 19' ' ' PHE . 23.9 ttm105 -89.82 120.86 31.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -120.99 148.54 43.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -87.53 154.77 20.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.17 -49.59 76.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.11 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -48.08 -38.5 17.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.06 117.01 7.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.119 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -57.66 -45.88 84.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -129.86 175.79 8.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.4 t -59.32 161.45 5.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.81 -32.23 6.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.883 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.492 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 0.4 OUTLIER -71.56 -64.83 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.492 ' N ' ' HG3' ' A' ' 30' ' ' MET . 21.2 p -91.9 -19.96 21.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 67.96 33.69 4.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.461 ' CG1' ' SG ' ' A' ' 31' ' ' CYS . 8.6 p -89.58 129.16 40.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.11 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.845 0.355 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 17.9 p-90 -116.46 129.69 56.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -74.94 137.62 41.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.8 t -84.68 163.51 19.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.3 m -113.4 -35.35 5.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 93.8 t -68.68 -64.63 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.163 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.502 ' SG ' ' CG ' ' A' ' 30' ' ' MET . 20.8 p -102.99 -3.48 25.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.898 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.5 p 53.96 32.0 14.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.154 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.411 ' CB ' ' SG ' ' A' ' 17' ' ' CYS . 52.2 t80 -87.32 143.41 27.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -80.2 120.37 24.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -122.72 152.52 40.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.0 t -69.71 154.64 41.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.74 -49.96 75.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.06 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -44.53 -46.24 9.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.26 110.92 3.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.06 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 28.9 p90 -65.62 -39.61 91.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.466 ' CD ' ' O ' ' A' ' 28' ' ' CYS . 0.3 OUTLIER -110.73 155.79 21.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.466 ' O ' ' CD ' ' A' ' 27' ' ' LYS . 8.9 t -56.62 163.97 1.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 71.1 mmm -109.08 -31.52 7.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.502 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -75.62 -64.02 1.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.488 ' N ' ' HG3' ' A' ' 30' ' ' MET . 17.3 p -90.12 -20.65 22.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 62.85 45.36 5.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.3 p -101.41 145.22 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.171 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.0 p90 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.904 0.383 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 50.8 p-90 -99.22 133.91 42.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -83.93 159.67 21.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.818 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 15' ' ' SER . 33.3 t -102.23 162.22 13.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.438 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 3.3 m -112.45 -31.73 6.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.9 t -68.33 -65.35 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.507 ' SG ' ' CG ' ' A' ' 30' ' ' MET . 28.5 p -104.45 -2.17 25.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.3 p 55.82 32.93 20.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -87.74 139.63 30.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -74.86 121.81 22.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -121.8 146.02 47.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.873 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.0 t -73.05 148.31 44.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.844 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.4 -51.44 35.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -46.01 -46.76 16.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.76 113.02 1.84 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.107 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.447 ' CE1' ' HG2' ' A' ' 27' ' ' LYS . 8.8 p90 -64.72 -36.22 83.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.447 ' HG2' ' CE1' ' A' ' 26' ' ' PHE . 7.8 ptpt -124.74 162.79 23.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.3 t -52.54 167.0 0.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.65 -35.24 6.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.507 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 1.3 tpt -75.55 -63.96 1.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.489 ' N ' ' HG3' ' A' ' 30' ' ' MET . 16.7 p -88.11 -22.74 23.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 67.2 43.45 2.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.4 p -99.65 130.07 49.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.151 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.979 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.1 p90 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.828 0.347 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 37.6 p-90 -108.71 130.13 55.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -79.79 141.67 36.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.42 ' SG ' ' N ' ' A' ' 15' ' ' SER . 36.5 t -87.31 161.49 17.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.42 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 59.5 m -116.04 -33.05 5.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.429 HG22 ' CG2' ' A' ' 33' ' ' VAL . 94.1 t -63.51 -62.46 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.148 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.495 ' SG ' ' CG ' ' A' ' 30' ' ' MET . 27.0 p -107.93 5.81 26.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.3 p 52.58 32.21 11.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.595 ' CE2' ' O ' ' A' ' 20' ' ' ARG . 71.8 t80 -90.29 142.32 27.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.595 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 17.7 ttp-105 -83.72 135.86 34.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -138.83 167.06 22.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.8 m -95.03 161.04 14.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.22 -54.74 42.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.113 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 2.7 pt-20 -43.97 -34.25 1.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.406 ' N ' ' HG3' ' A' ' 24' ' ' GLU . . . -64.09 116.84 6.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.41 ' C ' ' HG3' ' A' ' 27' ' ' LYS . 5.2 p90 -54.65 -44.17 73.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.41 ' HG3' ' C ' ' A' ' 26' ' ' PHE . 26.8 mtpt -144.09 175.46 10.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.3 t -52.51 164.11 0.37 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.66 -34.4 6.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.495 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 2.8 tpt -72.99 -64.32 0.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.484 ' N ' ' HG3' ' A' ' 30' ' ' MET . 19.5 p -91.23 -21.1 21.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 64.77 43.32 4.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.429 ' CG2' HG22 ' A' ' 16' ' ' VAL . 7.5 p -94.4 137.26 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.134 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.8 p90 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.856 0.36 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 22.5 p-90 -125.6 140.36 52.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -81.07 140.47 35.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.6 t -87.28 163.08 17.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.2 m -111.09 -32.73 6.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.817 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 90.2 t -72.56 -65.08 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.15 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.2 p -103.6 -5.0 23.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.2 p 55.53 31.97 18.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.171 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -82.96 142.27 31.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -76.95 109.27 10.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.405 ' OD1' ' SG ' ' A' ' 28' ' ' CYS . 4.4 m-80 -108.58 154.41 22.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.4 m -83.75 138.4 33.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 24' ' ' GLU . . . -39.6 -61.51 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 23' ' ' ALA . 17.0 tt0 -36.9 -49.6 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.7 110.46 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -54.8 -46.79 74.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.6 pttm -119.5 177.71 4.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.405 ' SG ' ' OD1' ' A' ' 21' ' ' ASN . 3.9 t -61.46 166.12 4.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.5 ttm -109.11 -33.5 6.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.492 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -76.43 -66.96 0.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.818 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.492 ' N ' ' HG3' ' A' ' 30' ' ' MET . 20.0 p -89.31 -21.02 23.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.867 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 65.18 48.0 2.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.443 HG23 ' N ' ' A' ' 34' ' ' ARG . 8.5 p -93.55 150.37 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.155 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.443 ' N ' HG23 ' A' ' 33' ' ' VAL . 5.7 ptp180 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.882 0.372 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.437 ' CD1' ' O ' ' A' ' 22' ' ' SER . 7.2 p-90 -118.21 126.86 53.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.928 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.14 121.25 24.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.821 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 7.5 t -66.44 168.59 8.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.85 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.3 m -117.06 -33.7 4.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 86.6 t -71.19 -53.6 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.13 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.4 p -108.23 -5.36 16.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 45.1 p 52.16 36.98 20.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.559 ' CE2' ' HG3' ' A' ' 29' ' ' MET . 71.6 t80 -91.75 151.68 20.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.428 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 63.1 ttp85 -82.59 119.04 23.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -122.87 138.6 54.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.437 ' O ' ' CD1' ' A' ' 12' ' ' TRP . 89.2 p -59.49 178.16 0.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.35 -45.09 15.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -57.0 -39.87 75.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.7 112.93 1.02 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.096 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -63.87 -43.12 97.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.8 pttm -124.27 170.66 10.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.2 t -63.33 158.12 21.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.559 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 2.2 ppp? -106.25 -32.34 8.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.466 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 2.8 tpt -76.4 -66.25 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.466 ' N ' ' HG3' ' A' ' 30' ' ' MET . 12.6 p -86.82 -26.68 23.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 67.88 45.38 1.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.2 p -101.36 132.02 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 22.3 p90 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.845 0.355 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 20.3 p-90 -114.55 131.2 56.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -82.54 135.65 35.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.9 t -78.51 162.06 26.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.3 t -114.98 -33.88 5.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 83.1 t -63.98 -63.74 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.13 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.447 ' SG ' ' CB ' ' A' ' 19' ' ' PHE . 22.3 p -104.04 3.36 33.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.5 p 52.36 32.4 11.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.184 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.447 ' CB ' ' SG ' ' A' ' 17' ' ' CYS . 81.6 t80 -89.86 147.77 23.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 66.7 ttp85 -88.58 123.33 32.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -118.41 164.06 15.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.1 m -83.34 155.6 23.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.64 -51.26 69.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.102 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -49.87 -42.61 48.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.86 111.03 2.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.561 ' CE1' ' HG2' ' A' ' 27' ' ' LYS . 3.8 p90 -64.09 -44.97 90.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.858 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.561 ' HG2' ' CE1' ' A' ' 26' ' ' PHE . 39.6 pttt -111.8 164.65 12.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.954 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.1 t -58.12 165.61 1.86 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 16.1 tpt -108.46 -32.38 7.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.496 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 8.5 tpp -75.76 -65.36 0.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.496 ' N ' ' HG3' ' A' ' 30' ' ' MET . 21.8 p -89.45 -20.6 23.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 64.28 47.96 3.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.8 p -95.03 154.51 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.5 ptt-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.1 p90 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.85 0.357 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 52.8 p-90 -127.69 128.12 44.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -79.64 128.15 33.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 15' ' ' SER . 27.4 t -72.55 161.89 30.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.438 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 7.3 t -114.8 -31.85 5.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 86.9 t -63.46 -61.55 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.124 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 30.6 p -109.35 4.56 22.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.1 p 54.8 32.15 17.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.434 ' CE2' ' O ' ' A' ' 20' ' ' ARG . 86.7 t80 -89.08 145.39 25.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.434 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 19.8 ttm105 -83.24 125.9 32.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -124.27 170.08 11.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.3 m -100.1 150.14 22.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.58 -46.6 39.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -47.68 -58.9 3.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.97 117.7 3.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 1.6 t80 -68.1 -40.68 82.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.802 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -116.5 177.65 4.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.0 t -72.7 160.59 31.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.1 mmt -105.45 -27.41 11.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.486 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 0.9 OUTLIER -84.62 -61.88 1.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.486 ' N ' ' HG3' ' A' ' 30' ' ' MET . 14.3 p -85.83 -15.42 41.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 53.27 42.44 32.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.6 t -113.03 145.41 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.7 ptt180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.7 p90 . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.852 0.358 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 59.2 p-90 -110.7 132.34 54.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.927 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -77.42 155.45 31.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.784 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 51.9 t -95.1 163.71 13.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.2 m -110.08 -31.29 7.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 98.2 t -75.44 -63.33 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.106 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.1 p -105.91 0.64 26.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.8 p 49.01 31.99 3.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.409 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 83.7 t80 -82.84 142.85 31.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -73.18 127.68 33.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.409 ' ND2' ' O ' ' A' ' 19' ' ' PHE . 13.5 m-80 -129.2 154.77 46.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.2 m -79.06 144.73 34.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.97 -55.26 12.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -41.38 -47.39 3.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.79 125.88 24.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.562 ' CE2' ' HG2' ' A' ' 27' ' ' LYS . 6.5 p90 -75.73 -41.02 54.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.562 ' HG2' ' CE2' ' A' ' 26' ' ' PHE . 35.2 pttt -119.62 165.7 14.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.945 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.7 t -56.95 164.85 1.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 5.6 mtt -108.57 -35.4 6.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.483 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 10.5 tpp -75.62 -65.57 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.483 ' N ' ' HG3' ' A' ' 30' ' ' MET . 14.0 p -86.18 -21.93 27.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 61.91 46.79 6.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.0 p -99.47 143.94 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 54.3 ttt180 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 44.4 p90 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.833 0.349 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 26.2 p-90 -122.37 137.85 54.72 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -82.94 123.12 29.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 40.5 t -71.15 162.12 29.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.0 p -114.85 -30.42 6.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 82.8 t -67.87 -59.93 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.527 ' O ' ' CG2' ' A' ' 18' ' ' THR . 31.6 p -111.38 8.08 21.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.527 ' CG2' ' O ' ' A' ' 17' ' ' CYS . 12.0 t 48.08 32.06 2.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -87.7 152.18 22.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 46.6 ttp180 -87.23 125.54 34.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -122.48 177.97 5.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 88.2 p -99.01 141.83 31.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.67 -43.87 18.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.066 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -55.77 -53.77 52.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.863 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.59 118.52 3.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.134 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -77.63 -28.02 51.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.423 ' C ' ' HD3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -121.79 166.06 14.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -74.05 158.55 34.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.876 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 79.9 mmm -104.93 -26.81 12.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.476 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 0.9 OUTLIER -84.72 -62.78 1.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.476 ' N ' ' HG3' ' A' ' 30' ' ' MET . 14.3 p -84.89 -20.07 31.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 t70 57.52 43.71 22.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.436 HG12 ' N ' ' A' ' 34' ' ' ARG . 77.7 t -113.16 135.68 51.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.436 ' N ' HG12 ' A' ' 33' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 27.2 p90 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.872 0.368 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.521 ' CZ3' ' OD1' ' A' ' 21' ' ' ASN . 29.9 p-90 -130.04 124.29 32.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.931 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.08 120.78 25.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.9 t -58.68 164.35 2.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.7 t -113.33 -33.57 5.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.825 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 92.2 t -67.45 -61.96 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.095 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.536 ' O ' ' CG2' ' A' ' 18' ' ' THR . 31.5 p -100.82 4.38 42.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.536 ' CG2' ' O ' ' A' ' 17' ' ' CYS . 11.9 t 48.73 32.13 3.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.47 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 94.2 t80 -92.52 128.12 38.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.846 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -58.99 119.23 6.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.521 ' OD1' ' CZ3' ' A' ' 12' ' ' TRP . 1.7 m120 -107.95 163.73 12.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 74.3 p -107.04 136.61 46.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.58 -43.38 8.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.087 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -54.41 -46.6 73.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.33 104.37 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.118 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -43.98 -47.28 8.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -123.49 177.25 5.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.7 t -59.41 165.46 2.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.73 -29.82 6.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.511 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 0.7 OUTLIER -75.67 -63.39 1.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.492 ' N ' ' HG3' ' A' ' 30' ' ' MET . 31.3 p -90.79 -16.54 28.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 63.88 36.29 10.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.8 p -93.98 145.9 7.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.999 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 14.1 p90 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.882 0.372 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 13.0 p-90 -108.93 131.59 54.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.3 128.77 34.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.423 ' SG ' ' N ' ' A' ' 15' ' ' SER . 37.0 t -71.38 162.04 30.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.423 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 3.5 t -113.89 -30.43 6.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 93.8 t -65.82 -61.2 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.123 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.9 p -105.94 2.63 27.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.1 p 54.95 31.95 17.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.432 ' CE1' ' O ' ' A' ' 20' ' ' ARG . 58.1 t80 -93.04 139.28 30.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.432 ' O ' ' CE1' ' A' ' 19' ' ' PHE . 2.8 tmm_? -81.49 130.52 35.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.406 ' OD1' ' N ' ' A' ' 29' ' ' MET . 3.7 m-80 -123.8 177.72 5.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.3 p -99.2 159.62 14.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.3 -40.29 95.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.119 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -54.99 -44.31 74.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.88 128.09 34.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.139 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.419 ' CE2' ' HG2' ' A' ' 27' ' ' LYS . 3.1 p90 -77.03 -36.42 56.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.419 ' HG2' ' CE2' ' A' ' 26' ' ' PHE . 5.3 pttm -120.84 173.02 7.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.935 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.2 t -64.32 167.1 7.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.406 ' N ' ' OD1' ' A' ' 21' ' ' ASN . 20.0 ttt -107.58 -34.26 7.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.494 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 3.1 tpt -78.22 -66.46 0.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.503 ' C ' ' CG ' ' A' ' 32' ' ' ASP . 17.2 p -90.08 -12.25 38.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.503 ' CG ' ' C ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER 51.61 41.84 29.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.834 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.404 ' CG1' ' SG ' ' A' ' 31' ' ' CYS . 9.7 p -91.16 132.58 35.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 17.5 ttm105 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 179.997 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 35.7 p90 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.917 0.389 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 6.2 p-90 -131.9 129.91 40.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -82.85 113.55 20.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.854 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 48.7 t -56.85 162.74 2.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.8 t -112.59 -30.76 7.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 99.2 t -68.94 -62.92 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.123 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.508 ' O ' ' CG2' ' A' ' 18' ' ' THR . 31.8 p -103.89 6.82 36.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.508 ' CG2' ' O ' ' A' ' 17' ' ' CYS . 9.5 t 47.91 32.06 2.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -87.29 139.65 30.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.5 ttm180 -82.02 113.87 20.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -110.82 178.68 4.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.4 m -103.69 157.33 17.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.04 -43.2 99.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -52.78 -47.67 67.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.852 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.8 122.65 12.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -68.61 -41.91 78.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.2 171.71 10.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.7 t -62.3 160.55 12.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -108.82 -28.95 8.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.484 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 2.1 tpt -78.9 -66.79 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.484 ' N ' ' HG3' ' A' ' 30' ' ' MET . 15.8 p -88.81 -23.3 22.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 67.68 46.37 1.33 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.2 p -95.9 134.42 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.135 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.402 ' NH1' ' HB2' ' A' ' 34' ' ' ARG . 7.2 ttm105 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 8.4 p90 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.876 0.369 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 15.2 p-90 -109.31 136.63 48.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -82.54 139.94 33.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.84 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 53.3 t -88.76 162.54 16.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.3 t -115.89 -33.79 4.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.429 ' CG2' HG22 ' A' ' 33' ' ' VAL . 96.4 t -63.88 -61.69 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.14 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.406 ' SG ' ' CB ' ' A' ' 19' ' ' PHE . 29.7 p -107.51 4.08 25.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.0 p 52.23 32.03 10.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.199 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.406 ' CB ' ' SG ' ' A' ' 17' ' ' CYS . 84.3 t80 -89.17 161.44 16.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.1 ttp180 -101.92 121.68 42.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -119.09 157.28 28.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 57.3 m -84.5 141.29 30.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.67 -47.75 7.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.077 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -40.89 -55.55 2.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.58 127.73 32.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.054 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.503 ' CE2' ' CD ' ' A' ' 27' ' ' LYS . 7.6 p90 -77.22 -30.79 54.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.503 ' CD ' ' CE2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -120.58 160.93 22.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.1 t -57.83 164.16 2.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.8 tpp -107.32 -32.25 7.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.494 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 8.4 tpp -77.09 -66.49 0.82 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.494 ' N ' ' HG3' ' A' ' 30' ' ' MET . 18.0 p -88.01 -22.82 24.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.7 t70 66.92 48.0 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.429 HG22 ' CG2' ' A' ' 16' ' ' VAL . 7.8 p -93.03 152.77 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.167 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.8 p90 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.859 0.362 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 22.3 p-90 -118.22 126.46 52.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.95 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.88 131.24 39.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.9 t -79.84 163.13 24.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.9 t -113.52 -31.42 6.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.6 t -69.99 -63.47 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.498 ' SG ' ' CG ' ' A' ' 30' ' ' MET . 30.0 p -103.64 9.41 37.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.454 ' CG2' ' O ' ' A' ' 17' ' ' CYS . 15.1 t 44.28 31.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.548 ' CE2' ' O ' ' A' ' 20' ' ' ARG . 62.9 t80 -83.77 169.86 14.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.548 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 1.5 tpp85 -107.41 134.44 50.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -135.4 173.05 12.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.6 m -110.8 150.89 28.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.804 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.78 -59.39 2.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.087 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 7.7 pt-20 -42.28 -38.12 1.71 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.434 ' N ' ' HG3' ' A' ' 24' ' ' GLU . . . -59.26 114.05 2.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.075 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -58.59 -45.34 89.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -141.03 170.01 16.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.96 161.78 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.3 ttm -114.45 -30.18 6.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.498 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 3.1 tpt -74.63 -63.42 1.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.48 ' N ' ' HG3' ' A' ' 30' ' ' MET . 21.8 p -92.15 -16.45 26.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 62.91 41.68 8.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.4 p -98.94 133.38 41.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.077 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.2 ttp180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.854 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 19.3 p90 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.845 0.355 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 26.6 p-90 -133.57 139.03 46.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -87.88 142.19 28.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.859 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 15' ' ' SER . 37.6 t -86.72 161.99 18.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.426 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 52.7 p -112.38 -34.38 5.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 73.6 t -67.15 -66.7 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.148 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.527 ' O ' ' CG2' ' A' ' 18' ' ' THR . 23.3 p -103.87 5.93 36.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.527 ' CG2' ' O ' ' A' ' 17' ' ' CYS . 12.3 t 47.91 32.05 2.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.198 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.443 ' CB ' ' SG ' ' A' ' 17' ' ' CYS . 55.2 t80 -89.04 124.85 34.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 44.7 ttp180 -71.88 127.6 33.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 19' ' ' PHE . 1.8 m-80 -120.76 167.75 12.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.0 m -89.55 144.2 26.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.93 -46.43 21.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.106 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -50.44 -31.18 14.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.61 113.75 15.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.078 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -58.54 -47.93 82.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.93 170.97 8.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.2 169.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.61 -32.51 6.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.485 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 2.1 tpp -79.37 -63.83 1.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.485 ' N ' ' HG3' ' A' ' 30' ' ' MET . 17.3 p -90.56 -18.31 25.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 t70 62.73 47.93 4.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.5 p -95.69 143.97 11.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.9 mmt-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.986 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 11.2 p90 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.895 0.378 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 41.3 p-90 -115.96 135.33 54.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.936 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -82.92 113.97 20.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.846 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 15' ' ' SER . 30.2 t -59.29 161.7 5.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.433 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 21.3 t -114.91 -32.99 5.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 98.8 t -62.47 -61.68 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.118 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 31.4 p -109.75 5.02 22.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.6 p 53.14 33.4 15.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.169 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.413 ' CE2' ' O ' ' A' ' 20' ' ' ARG . 53.7 t80 -88.08 141.31 28.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.413 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 27.4 ttm180 -80.87 114.4 19.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -108.45 178.05 4.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 90.6 p -107.06 145.66 32.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.35 -45.99 36.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.105 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.5 mp0 -51.1 -44.22 61.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.51 122.16 19.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.062 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -73.33 -43.83 60.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.45 176.89 5.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.2 t -76.34 163.01 27.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.5 ttt -106.37 -31.55 8.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.485 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 1.0 OUTLIER -81.67 -62.55 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.485 ' N ' ' HG3' ' A' ' 30' ' ' MET . 14.0 p -85.4 -17.53 36.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.1 t0 53.23 43.9 30.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.826 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.3 t -111.26 143.74 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 34.7 p90 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.848 0.356 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 18.4 p-90 -105.78 127.73 53.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -80.6 112.2 17.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 47.7 t -55.47 163.31 1.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.6 p -114.25 -32.63 5.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 74.1 t -67.94 -62.6 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.114 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.511 ' O ' ' CG2' ' A' ' 18' ' ' THR . 29.5 p -105.25 6.68 33.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.511 ' CG2' ' O ' ' A' ' 17' ' ' CYS . 9.3 t 48.01 31.94 2.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.406 ' CB ' ' SG ' ' A' ' 17' ' ' CYS . 89.6 t80 -85.95 140.04 30.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -83.85 122.66 29.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -120.75 165.97 14.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 59.6 p -85.45 152.14 23.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.3 -43.66 75.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -53.79 -42.29 68.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.59 121.33 13.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.149 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.26 -43.94 39.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.08 152.75 31.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -52.74 161.43 0.74 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 19.3 ttt -109.34 -29.59 8.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.496 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 11.9 tpp -77.54 -67.57 0.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.474 ' N ' ' HG3' ' A' ' 30' ' ' MET . 13.9 p -85.43 -21.45 28.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 36.0 t0 63.83 45.9 4.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.466 ' CG1' ' SG ' ' A' ' 31' ' ' CYS . 8.5 p -99.16 142.53 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.9 p90 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.878 0.37 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 15.7 p-90 -134.35 120.12 19.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.47 125.68 24.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.434 ' HB3' ' CA ' ' A' ' 18' ' ' THR . 14.1 t -70.58 166.98 19.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.3 m -112.23 -34.19 5.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 87.8 t -77.73 -62.63 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.149 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.509 ' SG ' ' CG ' ' A' ' 30' ' ' MET . 18.8 p -104.77 6.83 34.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.434 ' CA ' ' HB3' ' A' ' 14' ' ' CYS . 14.5 t 42.13 31.99 0.28 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.463 ' CB ' ' SG ' ' A' ' 17' ' ' CYS . 80.1 t80 -79.59 143.32 34.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -74.22 114.67 12.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.846 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 19' ' ' PHE . 20.1 m-80 -116.61 162.5 17.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.6 m -95.22 158.75 15.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.1 -47.43 85.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.079 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -46.53 -49.6 18.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.81 113.36 6.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.073 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.569 ' CE1' ' CG ' ' A' ' 27' ' ' LYS . 2.8 p90 -66.45 -40.27 89.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.569 ' CG ' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -112.25 162.77 15.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 27.9 t -66.94 161.94 23.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 5.2 ttp -107.19 -31.33 8.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.509 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 1.8 tpt -73.63 -67.38 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.83 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.481 ' N ' ' HG3' ' A' ' 30' ' ' MET . 16.9 p -87.16 -25.21 24.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.834 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.0 t70 68.02 46.08 1.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.9 p -97.05 146.65 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.976 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.6 p90 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.862 0.363 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 30.4 p-90 -120.28 129.91 54.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.99 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -74.62 114.26 12.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.825 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.1 t -52.12 168.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 95.9 p -108.26 -37.96 5.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.3 t -77.82 -63.02 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.131 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.477 ' SG ' ' CG ' ' A' ' 30' ' ' MET . 14.5 p -90.25 -13.56 35.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.0 p 54.4 36.47 25.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.465 ' CE2' ' O ' ' A' ' 20' ' ' ARG . 90.5 t80 -89.97 165.3 14.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.913 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.465 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 20.2 ttp-105 -87.25 119.05 27.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -127.01 131.7 50.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.3 t -65.18 151.36 46.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.808 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.13 -45.07 87.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.116 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -53.96 -37.92 64.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.71 110.4 1.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.089 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.559 ' CE2' ' HG2' ' A' ' 27' ' ' LYS . 5.5 p90 -57.84 -37.97 74.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.559 ' HG2' ' CE2' ' A' ' 26' ' ' PHE . 10.8 pttm -127.83 170.33 12.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.7 t -66.95 161.27 24.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -108.65 -21.77 12.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.494 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 9.2 tpp -82.27 -64.53 1.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.494 ' N ' ' HG3' ' A' ' 30' ' ' MET . 31.1 p -93.26 -13.56 28.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 62.93 35.57 13.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.9 p -88.03 141.38 14.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.3 tpp180 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.97 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.2 m -122.93 149.84 43.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.855 0.36 . . . . 0.0 110.88 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -132.74 114.25 13.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.832 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.19 83.46 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.442 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.5 m -65.77 110.63 2.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.87 0.367 . . . . 0.0 110.86 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.4 t -73.51 -50.21 22.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.0 -96.06 1.01 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.453 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.54 125.87 31.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.753 0.311 . . . . 0.0 110.853 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -79.99 161.85 25.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 145.74 45.89 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.485 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -64.48 138.04 58.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.862 0.363 . . . . 0.0 110.962 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.515 ' CD2' ' HD2' ' A' ' 35' ' ' LYS . 10.7 p-90 -110.63 129.77 55.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -81.14 114.44 19.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.895 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 46.5 t -56.93 164.41 1.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.0 p -114.91 -33.27 5.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 83.4 t -65.2 -56.27 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.48 ' SG ' ' CG ' ' A' ' 30' ' ' MET . 31.7 p -106.75 -1.33 22.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.3 p 55.07 32.27 17.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.15 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.409 ' CG ' ' N ' ' A' ' 20' ' ' ARG . 47.4 t80 -90.52 160.45 15.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.409 ' N ' ' CG ' ' A' ' 19' ' ' PHE . 23.9 ttm105 -89.82 120.86 31.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -120.99 148.54 43.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -87.53 154.77 20.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.17 -49.59 76.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.11 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -48.08 -38.5 17.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.06 117.01 7.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.119 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -57.66 -45.88 84.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -129.86 175.79 8.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.4 t -59.32 161.45 5.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.81 -32.23 6.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.883 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.492 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 0.4 OUTLIER -71.56 -64.83 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.492 ' N ' ' HG3' ' A' ' 30' ' ' MET . 21.2 p -91.9 -19.96 21.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 67.96 33.69 4.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.461 ' CG1' ' SG ' ' A' ' 31' ' ' CYS . 8.6 p -89.58 129.16 40.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.11 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.478 ' HD3' ' N ' ' A' ' 36' ' ' GLY . 0.0 OUTLIER -55.9 140.68 41.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.515 ' HD2' ' CD2' ' A' ' 12' ' ' TRP . 2.9 ptmm? -111.69 -37.99 5.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.478 ' N ' ' HD3' ' A' ' 34' ' ' ARG . . . -53.26 95.0 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 54.6 p -44.28 -55.54 4.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.804 0.335 . . . . 0.0 111.185 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.1 m 56.4 42.96 26.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.411 HG21 ' N ' ' A' ' 40' ' ' ARG . 24.8 m -84.84 144.51 28.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.168 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.411 ' N ' HG21 ' A' ' 39' ' ' THR . 8.3 mmm180 -99.36 123.87 44.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.866 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -61.36 149.22 83.9 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.583 0.706 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 5.65 1.61 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.665 2.243 . . . . 0.0 112.382 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -52.17 152.24 6.08 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.635 0.731 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 158.43 57.03 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.706 2.27 . . . . 0.0 112.344 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.0 p -146.86 137.26 17.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 86.7 p -136.42 166.07 24.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.7 tm0? -61.43 127.04 29.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 92.9 p -71.82 109.15 5.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -115.27 -157.5 11.48 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.482 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 115.32 4.03 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.69 2.26 . . . . 0.0 112.347 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.4 t -56.86 -44.75 82.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.841 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 88.7 p -92.15 133.53 35.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.105 -0.831 . . . . 0.0 112.511 179.99 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.7 m -85.84 170.21 12.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.879 0.371 . . . . 0.0 110.894 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.4 p -104.73 143.94 32.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.77 -67.34 1.35 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.488 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -77.32 164.68 25.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.863 0.363 . . . . 0.0 110.846 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.7 p -117.52 149.07 41.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.83 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.16 172.31 43.38 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.499 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -62.59 -54.66 36.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.797 0.332 . . . . 0.0 110.853 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -151.01 126.2 9.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -157.74 40.89 0.53 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -160.35 154.78 23.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.845 0.355 . . . . 0.0 110.949 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 17.9 p-90 -116.46 129.69 56.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -74.94 137.62 41.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.8 t -84.68 163.51 19.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.3 m -113.4 -35.35 5.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 93.8 t -68.68 -64.63 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.163 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.502 ' SG ' ' CG ' ' A' ' 30' ' ' MET . 20.8 p -102.99 -3.48 25.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.898 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.5 p 53.96 32.0 14.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.154 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.411 ' CB ' ' SG ' ' A' ' 17' ' ' CYS . 52.2 t80 -87.32 143.41 27.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -80.2 120.37 24.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -122.72 152.52 40.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.0 t -69.71 154.64 41.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.74 -49.96 75.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.06 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -44.53 -46.24 9.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.26 110.92 3.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.06 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 28.9 p90 -65.62 -39.61 91.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.466 ' CD ' ' O ' ' A' ' 28' ' ' CYS . 0.3 OUTLIER -110.73 155.79 21.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.466 ' O ' ' CD ' ' A' ' 27' ' ' LYS . 8.9 t -56.62 163.97 1.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 71.1 mmm -109.08 -31.52 7.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.502 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -75.62 -64.02 1.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.488 ' N ' ' HG3' ' A' ' 30' ' ' MET . 17.3 p -90.12 -20.65 22.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 62.85 45.36 5.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.3 p -101.41 145.22 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.171 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.51 143.5 55.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.5 pttm -112.72 169.97 8.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.9 153.86 0.29 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 73.2 p -94.86 118.31 31.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.708 0.29 . . . . 0.0 111.164 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.7 t 58.81 42.19 20.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.3 t -44.97 -34.88 2.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.173 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -88.71 145.59 25.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.3 mttp -106.22 114.36 62.46 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.605 0.716 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 171.42 14.54 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.688 2.259 . . . . 0.0 112.37 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.19 152.15 6.95 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.627 0.727 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 6.39 1.32 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.682 2.254 . . . . 0.0 112.403 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.7 t -115.46 104.96 17.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.147 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.3 m -82.21 153.92 25.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.84 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -125.87 114.22 18.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.0 m -61.53 113.24 2.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.889 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.92 137.05 1.02 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.534 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -33.88 16.0 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.717 2.278 . . . . 0.0 112.35 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.0 m -120.96 137.89 54.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.5 t -138.95 165.75 26.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.843 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.439 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.4 p -101.36 130.36 47.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.932 0.396 . . . . 0.0 110.809 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.8 m -51.99 -61.93 1.95 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.9 154.96 51.55 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.443 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.3 p -82.27 127.01 32.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.914 0.387 . . . . 0.0 110.848 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 t -147.88 106.24 3.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.23 39.04 0.39 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.67 -55.45 3.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.761 0.315 . . . . 0.0 110.8 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -45.69 -42.8 12.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.8 80.67 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.485 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.0 p90 -150.9 135.93 17.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.904 0.383 . . . . 0.0 110.892 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.527 ' CD2' ' HD3' ' A' ' 35' ' ' LYS . 50.8 p-90 -99.22 133.91 42.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -83.93 159.67 21.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.818 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 15' ' ' SER . 33.3 t -102.23 162.22 13.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.438 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 3.3 m -112.45 -31.73 6.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.9 t -68.33 -65.35 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.507 ' SG ' ' CG ' ' A' ' 30' ' ' MET . 28.5 p -104.45 -2.17 25.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.3 p 55.82 32.93 20.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -87.74 139.63 30.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -74.86 121.81 22.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -121.8 146.02 47.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.873 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.0 t -73.05 148.31 44.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.844 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.4 -51.44 35.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -46.01 -46.76 16.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.76 113.02 1.84 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.107 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.447 ' CE1' ' HG2' ' A' ' 27' ' ' LYS . 8.8 p90 -64.72 -36.22 83.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.447 ' HG2' ' CE1' ' A' ' 26' ' ' PHE . 7.8 ptpt -124.74 162.79 23.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.3 t -52.54 167.0 0.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.65 -35.24 6.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.507 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 1.3 tpt -75.55 -63.96 1.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.489 ' N ' ' HG3' ' A' ' 30' ' ' MET . 16.7 p -88.11 -22.74 23.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 67.2 43.45 2.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.4 p -99.65 130.07 49.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.151 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -57.35 141.03 48.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.527 ' HD3' ' CD2' ' A' ' 12' ' ' TRP . 3.4 pttp -102.47 143.28 32.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -99.36 -167.06 30.0 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.471 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.2 m 54.84 40.32 31.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.747 0.308 . . . . 0.0 111.148 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.4 m -67.2 -55.55 13.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 79.8 p -56.02 166.05 0.85 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.134 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 -127.45 115.72 19.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.831 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 30.5 mttm -102.64 142.74 25.19 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.55 0.69 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -20.45 34.82 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.659 2.24 . . . . 0.0 112.391 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -158.03 122.62 2.25 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.639 0.733 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 83.02 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.681 2.254 . . . . 0.0 112.317 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.463 HG21 ' N ' ' A' ' 46' ' ' SER . 27.1 m -40.07 -41.59 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.463 ' N ' HG21 ' A' ' 45' ' ' VAL . 46.7 t -88.95 141.99 28.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.815 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -57.62 173.9 0.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.1 m -67.36 -62.11 1.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 92.51 161.24 36.38 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.505 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 142.36 47.56 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.632 2.222 . . . . 0.0 112.36 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 98.0 p -139.93 127.25 21.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.859 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.2 m -42.64 -57.57 2.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.871 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.465 179.969 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.6 p -57.28 -50.42 72.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.863 0.363 . . . . 0.0 110.879 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.0 t -89.61 148.2 23.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.846 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.43 75.21 0.53 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.484 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -89.63 -56.82 3.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.846 0.355 . . . . 0.0 110.849 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.1 p -103.05 146.1 28.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.97 58.95 0.54 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.469 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -82.54 129.7 34.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.815 0.341 . . . . 0.0 110.838 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -77.16 -49.59 14.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.93 -67.46 2.96 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.513 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -63.41 135.22 56.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.828 0.347 . . . . 0.0 110.932 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.489 ' CE2' ' HD3' ' A' ' 35' ' ' LYS . 37.6 p-90 -108.71 130.13 55.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -79.79 141.67 36.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.42 ' SG ' ' N ' ' A' ' 15' ' ' SER . 36.5 t -87.31 161.49 17.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.42 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 59.5 m -116.04 -33.05 5.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.429 HG22 ' CG2' ' A' ' 33' ' ' VAL . 94.1 t -63.51 -62.46 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.148 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.495 ' SG ' ' CG ' ' A' ' 30' ' ' MET . 27.0 p -107.93 5.81 26.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.3 p 52.58 32.21 11.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.595 ' CE2' ' O ' ' A' ' 20' ' ' ARG . 71.8 t80 -90.29 142.32 27.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.595 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 17.7 ttp-105 -83.72 135.86 34.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -138.83 167.06 22.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.8 m -95.03 161.04 14.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.22 -54.74 42.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.113 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 2.7 pt-20 -43.97 -34.25 1.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.406 ' N ' ' HG3' ' A' ' 24' ' ' GLU . . . -64.09 116.84 6.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.41 ' C ' ' HG3' ' A' ' 27' ' ' LYS . 5.2 p90 -54.65 -44.17 73.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.41 ' HG3' ' C ' ' A' ' 26' ' ' PHE . 26.8 mtpt -144.09 175.46 10.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.3 t -52.51 164.11 0.37 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.66 -34.4 6.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.495 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 2.8 tpt -72.99 -64.32 0.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.484 ' N ' ' HG3' ' A' ' 30' ' ' MET . 19.5 p -91.23 -21.1 21.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 64.77 43.32 4.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.429 ' CG2' HG22 ' A' ' 16' ' ' VAL . 7.5 p -94.4 137.26 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.134 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -61.46 137.08 58.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.489 ' HD3' ' CE2' ' A' ' 12' ' ' TRP . 14.9 pttm -104.58 177.47 4.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 161.1 149.87 5.74 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.479 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 32.2 m -99.45 140.93 32.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 111.155 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.3 t -51.15 -58.68 5.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 19.6 m 64.01 40.41 7.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.136 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -81.22 137.23 35.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -110.99 125.44 30.66 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.584 0.706 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -15.01 36.95 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.719 2.279 . . . . 0.0 112.382 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.6 mtp85 -62.63 121.64 68.9 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.558 0.694 . . . . 0.0 110.88 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 128.19 15.65 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.67 2.247 . . . . 0.0 112.308 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.3 t -70.05 106.15 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.7 t -137.1 121.84 18.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -99.73 106.61 18.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.3 m -68.31 -44.76 74.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.883 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 159.21 143.1 3.56 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.49 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 156.32 63.53 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.679 2.252 . . . . 0.0 112.326 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.0 m -123.94 115.82 21.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 53' ' ' GLY . 35.2 m -53.35 -49.72 66.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 52' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.163 -0.799 . . . . 0.0 112.451 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.3 m -57.33 144.99 33.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.936 0.398 . . . . 0.0 110.811 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.1 p -92.85 -44.17 8.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.04 -174.23 48.97 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.466 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.5 m -74.39 141.77 45.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.838 0.351 . . . . 0.0 110.84 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.0 m -75.26 -58.18 3.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.98 -172.55 25.77 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.2 p30 -129.13 160.23 33.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.773 0.32 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -96.44 110.38 22.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 150.7 70.09 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.507 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -161.5 153.32 19.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.856 0.36 . . . . 0.0 110.937 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 22.5 p-90 -125.6 140.36 52.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -81.07 140.47 35.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.6 t -87.28 163.08 17.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.2 m -111.09 -32.73 6.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.817 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 90.2 t -72.56 -65.08 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.15 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.2 p -103.6 -5.0 23.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.2 p 55.53 31.97 18.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.171 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -82.96 142.27 31.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -76.95 109.27 10.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.405 ' OD1' ' SG ' ' A' ' 28' ' ' CYS . 4.4 m-80 -108.58 154.41 22.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.4 m -83.75 138.4 33.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 24' ' ' GLU . . . -39.6 -61.51 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 23' ' ' ALA . 17.0 tt0 -36.9 -49.6 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.7 110.46 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -54.8 -46.79 74.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.6 pttm -119.5 177.71 4.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.405 ' SG ' ' OD1' ' A' ' 21' ' ' ASN . 3.9 t -61.46 166.12 4.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.5 ttm -109.11 -33.5 6.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.492 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -76.43 -66.96 0.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.818 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.492 ' N ' ' HG3' ' A' ' 30' ' ' MET . 20.0 p -89.31 -21.02 23.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.867 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 65.18 48.0 2.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.443 HG23 ' N ' ' A' ' 34' ' ' ARG . 8.5 p -93.55 150.37 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.155 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.443 ' N ' HG23 ' A' ' 33' ' ' VAL . 5.7 ptp180 -66.41 140.52 58.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 36' ' ' GLY . 7.6 ptmt -110.99 -35.97 5.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.402 ' N ' ' HG3' ' A' ' 35' ' ' LYS . . . -60.08 116.39 9.01 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.499 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 36.8 m -65.55 -54.81 22.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.818 0.342 . . . . 0.0 111.175 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.7 m -90.57 158.01 17.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 74.3 m -57.37 -53.97 52.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.131 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -127.81 164.28 22.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.841 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.417 ' C ' ' HD3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -137.61 152.53 72.96 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.544 0.687 . . . . 0.0 110.884 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 111.11 2.74 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.705 2.27 . . . . 0.0 112.33 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 68.0 mtm180 -56.01 148.08 41.19 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.605 0.717 . . . . 0.0 110.864 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -176.42 1.49 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.705 2.27 . . . . 0.0 112.326 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 32.5 m -106.87 135.01 46.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.4 t -82.67 175.82 9.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -91.5 150.18 21.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.5 t -56.39 148.14 19.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.84 156.86 22.11 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.477 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 136.79 33.81 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.707 2.271 . . . . 0.0 112.35 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 60.3 p -83.39 -37.13 23.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 65.4 m -146.02 174.11 11.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.862 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.498 -179.951 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 t -118.76 106.96 13.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.906 0.384 . . . . 0.0 110.826 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.2 t -96.44 132.98 41.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.84 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.64 -114.65 0.3 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.489 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -71.8 -45.49 61.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.912 0.387 . . . . 0.0 110.867 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.6 t -111.47 132.13 54.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.877 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.46 51.08 0.56 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -154.43 175.18 13.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.753 0.311 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -73.9 175.38 7.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 127.83 -48.98 0.94 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.488 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -58.0 154.45 12.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.882 0.372 . . . . 0.0 110.934 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.52 ' CD2' ' HD2' ' A' ' 35' ' ' LYS . 7.2 p-90 -118.21 126.86 53.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.928 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.14 121.25 24.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.821 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 7.5 t -66.44 168.59 8.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.85 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.3 m -117.06 -33.7 4.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 86.6 t -71.19 -53.6 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.13 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.4 p -108.23 -5.36 16.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 45.1 p 52.16 36.98 20.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.559 ' CE2' ' HG3' ' A' ' 29' ' ' MET . 71.6 t80 -91.75 151.68 20.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.428 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 63.1 ttp85 -82.59 119.04 23.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -122.87 138.6 54.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.437 ' O ' ' CD1' ' A' ' 12' ' ' TRP . 89.2 p -59.49 178.16 0.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.35 -45.09 15.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -57.0 -39.87 75.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.7 112.93 1.02 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.096 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -63.87 -43.12 97.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.8 pttm -124.27 170.66 10.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.2 t -63.33 158.12 21.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.559 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 2.2 ppp? -106.25 -32.34 8.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.466 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 2.8 tpt -76.4 -66.25 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.466 ' N ' ' HG3' ' A' ' 30' ' ' MET . 12.6 p -86.82 -26.68 23.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 67.88 45.38 1.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.2 p -101.36 132.02 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.452 ' HD3' ' N ' ' A' ' 36' ' ' GLY . 2.8 tmt_? -52.03 139.96 21.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.52 ' HD2' ' CD2' ' A' ' 12' ' ' TRP . 0.0 OUTLIER -112.84 -37.96 4.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.452 ' N ' ' HD3' ' A' ' 34' ' ' ARG . . . 107.33 -165.19 13.08 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.448 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.0 m -77.59 117.79 19.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 111.118 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.5 p -88.03 -42.03 12.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 79.5 p -63.41 108.67 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -55.72 -50.2 70.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.0 ttmm -96.81 103.36 14.48 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.554 0.693 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -174.2 0.86 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.702 2.268 . . . . 0.0 112.332 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -113.95 139.38 23.52 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.679 0.752 . . . . 0.0 110.854 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -50.55 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.681 2.254 . . . . 0.0 112.356 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 33.5 m -140.75 139.58 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.5 m -119.59 119.08 32.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.823 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.441 ' HG3' ' N ' ' A' ' 48' ' ' SER . 8.8 pt20 -83.8 -35.57 24.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.904 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.441 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 3.2 m -64.11 -60.95 2.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.62 -114.02 4.9 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.454 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 2.8 3.16 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.702 2.268 . . . . 0.0 112.35 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 45.4 m -100.63 160.74 14.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.6 m -95.82 17.71 14.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.118 -0.823 . . . . 0.0 112.489 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.3 m -131.47 136.75 48.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.924 0.392 . . . . 0.0 110.843 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.8 t -83.11 -62.03 1.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.84 153.14 1.06 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.495 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.3 m -93.38 128.57 39.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 0.0 110.844 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.1 t -62.61 156.59 22.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.16 -51.08 3.1 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.474 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -49.01 -50.93 33.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.797 0.332 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -80.41 110.66 16.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.33 33.58 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.439 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -82.9 149.06 27.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.845 0.355 . . . . 0.0 110.924 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.475 ' CD2' ' HD2' ' A' ' 35' ' ' LYS . 20.3 p-90 -114.55 131.2 56.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -82.54 135.65 35.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.9 t -78.51 162.06 26.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.3 t -114.98 -33.88 5.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 83.1 t -63.98 -63.74 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.13 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.447 ' SG ' ' CB ' ' A' ' 19' ' ' PHE . 22.3 p -104.04 3.36 33.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.5 p 52.36 32.4 11.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.184 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.447 ' CB ' ' SG ' ' A' ' 17' ' ' CYS . 81.6 t80 -89.86 147.77 23.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 66.7 ttp85 -88.58 123.33 32.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -118.41 164.06 15.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.1 m -83.34 155.6 23.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.64 -51.26 69.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.102 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -49.87 -42.61 48.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.86 111.03 2.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.561 ' CE1' ' HG2' ' A' ' 27' ' ' LYS . 3.8 p90 -64.09 -44.97 90.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.858 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.561 ' HG2' ' CE1' ' A' ' 26' ' ' PHE . 39.6 pttt -111.8 164.65 12.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.954 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.1 t -58.12 165.61 1.86 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 16.1 tpt -108.46 -32.38 7.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.496 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 8.5 tpp -75.76 -65.36 0.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.496 ' N ' ' HG3' ' A' ' 30' ' ' MET . 21.8 p -89.45 -20.6 23.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 64.28 47.96 3.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.8 p -95.03 154.51 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.5 ptt-85 -74.48 139.62 44.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.475 ' HD2' ' CD2' ' A' ' 12' ' ' TRP . 7.3 pttm -112.67 174.98 5.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.93 89.13 0.1 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.49 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.3 m -123.79 139.93 53.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.774 0.321 . . . . 0.0 111.119 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.8 m -136.89 174.89 10.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.9 m -84.61 -53.01 5.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.139 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 18.8 tpt180 -127.82 125.14 39.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.4 mtpp -91.68 117.16 67.62 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.634 0.73 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 6.28 1.37 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.659 2.239 . . . . 0.0 112.353 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.0 mtp180 -104.02 160.4 26.19 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.595 0.712 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 165.48 30.78 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.7 2.266 . . . . 0.0 112.316 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 98.4 t -45.39 -51.79 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -152.29 156.33 39.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -77.07 154.64 33.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.1 t 59.73 42.0 17.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -104.78 -110.31 3.49 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -49.42 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.637 2.225 . . . . 0.0 112.361 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.0 m -104.93 165.6 10.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.5 m -113.99 159.69 19.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.82 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.487 -179.978 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.5 m -44.26 -58.68 2.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.944 0.402 . . . . 0.0 110.885 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -63.65 154.47 32.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.09 -169.67 41.55 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.523 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.6 m -119.5 132.84 55.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.893 0.378 . . . . 0.0 110.84 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.1 m -97.19 148.28 23.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.27 144.37 12.22 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -128.34 108.27 10.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.799 0.333 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 10' ' ' GLY . 3.6 pt-20 -47.28 -35.0 7.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.444 ' N ' ' HG3' ' A' ' 9' ' ' GLU . . . -78.69 73.44 2.26 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.476 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -132.18 155.65 47.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.85 0.357 . . . . 0.0 110.938 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.514 ' CD2' ' HD2' ' A' ' 35' ' ' LYS . 52.8 p-90 -127.69 128.12 44.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -79.64 128.15 33.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 15' ' ' SER . 27.4 t -72.55 161.89 30.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.438 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 7.3 t -114.8 -31.85 5.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 86.9 t -63.46 -61.55 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.124 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 30.6 p -109.35 4.56 22.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.1 p 54.8 32.15 17.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.434 ' CE2' ' O ' ' A' ' 20' ' ' ARG . 86.7 t80 -89.08 145.39 25.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.434 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 19.8 ttm105 -83.24 125.9 32.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -124.27 170.08 11.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.3 m -100.1 150.14 22.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.58 -46.6 39.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -47.68 -58.9 3.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.97 117.7 3.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 1.6 t80 -68.1 -40.68 82.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.802 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -116.5 177.65 4.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.0 t -72.7 160.59 31.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.1 mmt -105.45 -27.41 11.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.486 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 0.9 OUTLIER -84.62 -61.88 1.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.486 ' N ' ' HG3' ' A' ' 30' ' ' MET . 14.3 p -85.83 -15.42 41.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 53.27 42.44 32.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.6 t -113.03 145.41 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.7 ptt180 -52.05 150.59 4.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.514 ' HD2' ' CD2' ' A' ' 12' ' ' TRP . 3.3 ptmm? -110.55 -33.45 6.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.416 ' N ' ' HG3' ' A' ' 35' ' ' LYS . . . 140.34 97.33 0.33 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.499 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 91.9 m -42.77 -44.72 4.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.787 0.327 . . . . 0.0 111.144 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.3 m -116.25 174.44 6.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.884 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 54.7 p -126.06 153.35 44.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.16 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 25.6 ttp180 -37.83 -54.16 1.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -88.83 109.38 29.68 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.582 0.706 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -11.9 31.72 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.712 2.275 . . . . 0.0 112.324 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -82.36 161.35 59.85 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.616 0.722 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 154.93 67.14 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.647 2.232 . . . . 0.0 112.357 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.437 HG23 ' N ' ' A' ' 46' ' ' SER . 29.5 m -89.59 -32.61 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.178 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.437 ' N ' HG23 ' A' ' 45' ' ' VAL . 35.5 t -167.83 159.01 11.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -54.07 137.8 39.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.941 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.0 m -93.33 126.38 38.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.82 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -108.75 156.27 15.75 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.467 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 100.07 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.685 2.257 . . . . 0.0 112.36 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.0 t -110.55 128.21 55.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.3 m -75.76 -54.57 6.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.152 -0.804 . . . . 0.0 112.472 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 t -104.84 115.45 30.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.901 0.382 . . . . 0.0 110.853 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.4 p -106.31 159.64 15.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.54 -129.63 7.4 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.492 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 m -96.01 105.22 17.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.844 0.354 . . . . 0.0 110.841 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 t -147.81 150.63 34.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.862 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.06 99.25 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.501 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -52.65 164.67 0.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.786 0.327 . . . . 0.0 110.861 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 56.66 41.39 28.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -105.44 55.82 0.55 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.496 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -155.4 143.56 20.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.852 0.358 . . . . 0.0 110.908 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 59.2 p-90 -110.7 132.34 54.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.927 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -77.42 155.45 31.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.784 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 51.9 t -95.1 163.71 13.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.2 m -110.08 -31.29 7.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 98.2 t -75.44 -63.33 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.106 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.1 p -105.91 0.64 26.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.8 p 49.01 31.99 3.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.409 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 83.7 t80 -82.84 142.85 31.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -73.18 127.68 33.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.409 ' ND2' ' O ' ' A' ' 19' ' ' PHE . 13.5 m-80 -129.2 154.77 46.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.2 m -79.06 144.73 34.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.97 -55.26 12.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -41.38 -47.39 3.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.79 125.88 24.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.562 ' CE2' ' HG2' ' A' ' 27' ' ' LYS . 6.5 p90 -75.73 -41.02 54.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.562 ' HG2' ' CE2' ' A' ' 26' ' ' PHE . 35.2 pttt -119.62 165.7 14.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.945 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.7 t -56.95 164.85 1.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 5.6 mtt -108.57 -35.4 6.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.483 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 10.5 tpp -75.62 -65.57 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.483 ' N ' ' HG3' ' A' ' 30' ' ' MET . 14.0 p -86.18 -21.93 27.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 61.91 46.79 6.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.0 p -99.47 143.94 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 54.3 ttt180 -57.09 143.62 37.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.43 170.97 7.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.939 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 124.46 62.79 0.18 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.45 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.0 t -75.79 -40.11 55.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.812 0.339 . . . . 0.0 111.13 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.6 t -63.75 -53.87 44.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.438 HG23 ' N ' ' A' ' 40' ' ' ARG . 7.6 t -61.07 -31.49 71.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.135 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.438 ' N ' HG23 ' A' ' 39' ' ' THR . 21.5 mtt180 -79.88 102.06 8.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.843 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.7 mmmt -75.7 122.4 87.01 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.575 0.703 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 2.79 3.24 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.709 2.273 . . . . 0.0 112.332 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.5 mtp85 -59.83 144.23 86.12 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.592 0.711 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 6.19 1.41 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.699 2.266 . . . . 0.0 112.356 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 34.3 m -79.83 127.96 38.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.7 t -107.46 145.77 32.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -157.16 141.12 16.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.6 p -130.68 149.51 52.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 128.86 155.13 8.48 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.466 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 105.7 1.53 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.685 2.257 . . . . 0.0 112.364 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 89.5 p -63.47 123.51 18.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.836 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.5 t -166.29 155.64 11.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.903 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.5 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.9 m -50.13 -46.25 53.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.859 0.361 . . . . 0.0 110.835 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.8 t -45.68 -53.1 9.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.11 138.77 8.47 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.469 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m -84.76 -44.32 13.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.896 0.379 . . . . 0.0 110.827 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.3 m -68.57 117.6 10.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.36 -127.48 3.12 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.441 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -101.97 140.8 35.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.742 0.306 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 51.98 40.35 28.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -114.85 43.62 1.65 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.54 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -153.84 154.51 34.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.833 0.349 . . . . 0.0 110.913 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.513 ' CD2' ' HD2' ' A' ' 35' ' ' LYS . 26.2 p-90 -122.37 137.85 54.72 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -82.94 123.12 29.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 40.5 t -71.15 162.12 29.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.0 p -114.85 -30.42 6.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 82.8 t -67.87 -59.93 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.527 ' O ' ' CG2' ' A' ' 18' ' ' THR . 31.6 p -111.38 8.08 21.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.527 ' CG2' ' O ' ' A' ' 17' ' ' CYS . 12.0 t 48.08 32.06 2.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -87.7 152.18 22.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 46.6 ttp180 -87.23 125.54 34.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -122.48 177.97 5.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 88.2 p -99.01 141.83 31.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.67 -43.87 18.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.066 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -55.77 -53.77 52.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.863 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.59 118.52 3.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.134 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -77.63 -28.02 51.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.423 ' C ' ' HD3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -121.79 166.06 14.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -74.05 158.55 34.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.876 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 79.9 mmm -104.93 -26.81 12.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.476 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 0.9 OUTLIER -84.72 -62.78 1.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.476 ' N ' ' HG3' ' A' ' 30' ' ' MET . 14.3 p -84.89 -20.07 31.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 t70 57.52 43.71 22.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.436 HG12 ' N ' ' A' ' 34' ' ' ARG . 77.7 t -113.16 135.68 51.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.436 ' N ' HG12 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -52.01 148.1 6.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.513 ' HD2' ' CD2' ' A' ' 12' ' ' TRP . 2.3 ptmm? -110.26 9.77 23.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -81.68 160.26 41.17 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.473 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 68.9 p -84.32 -45.4 12.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.761 0.315 . . . . 0.0 111.125 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.2 t -124.1 128.01 48.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.834 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.9 m -74.82 107.85 7.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.133 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.4 mtt85 -90.08 -51.18 5.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.487 ' CG ' ' HG2' ' A' ' 43' ' ' ARG . 8.8 tptp -78.27 134.37 63.0 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.523 0.677 . . . . 0.0 110.947 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 4.74 2.0 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.668 2.246 . . . . 0.0 112.375 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.487 ' HG2' ' CG ' ' A' ' 41' ' ' LYS . 7.1 ptm180 -96.01 117.69 66.16 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.591 0.71 . . . . 0.0 110.868 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.416 ' O ' ' CG1' ' A' ' 45' ' ' VAL . 53.5 Cg_endo -69.76 -51.7 0.37 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.745 2.297 . . . . 0.0 112.339 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.416 ' CG1' ' O ' ' A' ' 44' ' ' PRO . 33.9 m -158.0 146.73 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.2 m -157.93 138.73 13.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -129.34 110.34 11.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.94 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.8 t -142.95 142.12 31.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.844 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -76.79 -77.35 0.79 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 145.68 58.1 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.729 2.286 . . . . 0.0 112.332 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.8 t -87.66 -49.95 6.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.9 t -39.84 -43.87 1.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.515 179.965 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -75.34 102.44 5.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.872 0.367 . . . . 0.0 110.878 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -77.99 -47.53 18.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.98 112.85 4.78 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.483 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -61.94 165.67 5.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.9 0.381 . . . . 0.0 110.878 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.2 m -149.79 176.04 11.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.29 53.31 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.445 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.18 -37.78 6.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.824 0.345 . . . . 0.0 110.866 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -54.38 155.06 4.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.13 46.88 0.11 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 27.2 p90 -154.12 157.37 38.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.872 0.368 . . . . 0.0 110.92 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.521 ' CZ3' ' OD1' ' A' ' 21' ' ' ASN . 29.9 p-90 -130.04 124.29 32.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.931 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.08 120.78 25.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.9 t -58.68 164.35 2.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.7 t -113.33 -33.57 5.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.825 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 92.2 t -67.45 -61.96 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.095 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.536 ' O ' ' CG2' ' A' ' 18' ' ' THR . 31.5 p -100.82 4.38 42.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.536 ' CG2' ' O ' ' A' ' 17' ' ' CYS . 11.9 t 48.73 32.13 3.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.47 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 94.2 t80 -92.52 128.12 38.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.846 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -58.99 119.23 6.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.521 ' OD1' ' CZ3' ' A' ' 12' ' ' TRP . 1.7 m120 -107.95 163.73 12.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 74.3 p -107.04 136.61 46.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.58 -43.38 8.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.087 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -54.41 -46.6 73.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.33 104.37 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.118 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -43.98 -47.28 8.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -123.49 177.25 5.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.7 t -59.41 165.46 2.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.73 -29.82 6.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.511 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 0.7 OUTLIER -75.67 -63.39 1.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.492 ' N ' ' HG3' ' A' ' 30' ' ' MET . 31.3 p -90.79 -16.54 28.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 63.88 36.29 10.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.8 p -93.98 145.9 7.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -60.63 143.73 53.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -100.76 145.01 29.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 133.5 97.65 0.63 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 89.7 m -48.23 -50.0 31.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.823 0.344 . . . . 0.0 111.148 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.7 t -105.72 144.28 32.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.6 t -67.43 -40.47 85.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.161 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -60.62 157.41 14.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -137.98 145.06 46.4 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.57 0.7 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 6.29 1.37 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.658 2.239 . . . . 0.0 112.313 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.405 ' NH2' HG13 ' A' ' 45' ' ' VAL . 14.5 ttt85 -54.11 108.79 1.23 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.574 0.702 . . . . 0.0 110.871 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 3.47 2.75 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.647 2.231 . . . . 0.0 112.369 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.424 HG11 ' N ' ' A' ' 46' ' ' SER . 61.0 t -97.66 136.67 27.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.086 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.424 ' N ' HG11 ' A' ' 45' ' ' VAL . 8.6 t -63.01 149.89 43.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.8 mp0 -81.73 11.94 4.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 73.9 m -65.03 -64.61 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 120.83 -77.41 0.32 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.482 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 88.69 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.673 2.249 . . . . 0.0 112.339 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.1 m -138.42 124.19 19.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.6 m -73.6 -61.63 1.77 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.107 -0.829 . . . . 0.0 112.526 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 1' ' ' GLY . 36.0 p -34.68 -52.24 0.51 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.851 0.358 . . . . 0.0 110.809 -179.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.4 m -95.15 155.48 16.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.91 -92.02 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.479 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -159.46 172.45 17.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.907 0.384 . . . . 0.0 110.825 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.9 p -126.6 150.28 48.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.818 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.85 -60.3 0.64 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.494 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.99 -60.57 2.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.738 0.304 . . . . 0.0 110.816 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -110.35 105.24 14.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.1 69.69 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -155.57 141.84 18.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.882 0.372 . . . . 0.0 110.886 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.427 ' CE3' ' HD2' ' A' ' 35' ' ' LYS . 13.0 p-90 -108.93 131.59 54.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.3 128.77 34.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.423 ' SG ' ' N ' ' A' ' 15' ' ' SER . 37.0 t -71.38 162.04 30.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.423 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 3.5 t -113.89 -30.43 6.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 93.8 t -65.82 -61.2 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.123 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.9 p -105.94 2.63 27.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.1 p 54.95 31.95 17.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.432 ' CE1' ' O ' ' A' ' 20' ' ' ARG . 58.1 t80 -93.04 139.28 30.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.432 ' O ' ' CE1' ' A' ' 19' ' ' PHE . 2.8 tmm_? -81.49 130.52 35.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.406 ' OD1' ' N ' ' A' ' 29' ' ' MET . 3.7 m-80 -123.8 177.72 5.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.3 p -99.2 159.62 14.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.3 -40.29 95.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.119 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -54.99 -44.31 74.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.88 128.09 34.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.139 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.419 ' CE2' ' HG2' ' A' ' 27' ' ' LYS . 3.1 p90 -77.03 -36.42 56.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.419 ' HG2' ' CE2' ' A' ' 26' ' ' PHE . 5.3 pttm -120.84 173.02 7.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.935 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.2 t -64.32 167.1 7.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.406 ' N ' ' OD1' ' A' ' 21' ' ' ASN . 20.0 ttt -107.58 -34.26 7.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.494 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 3.1 tpt -78.22 -66.46 0.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.503 ' C ' ' CG ' ' A' ' 32' ' ' ASP . 17.2 p -90.08 -12.25 38.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.503 ' CG ' ' C ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER 51.61 41.84 29.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.834 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.404 ' CG1' ' SG ' ' A' ' 31' ' ' CYS . 9.7 p -91.16 132.58 35.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 17.5 ttm105 -52.09 140.78 19.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.427 ' HD2' ' CE3' ' A' ' 12' ' ' TRP . 8.1 pttm -111.12 -36.99 5.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -53.35 108.09 0.71 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 93.6 m -50.84 -60.99 2.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.817 0.342 . . . . 0.0 111.17 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.4 m -76.48 118.95 19.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 89.6 m -138.86 145.15 39.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.414 ' NE ' ' HA ' ' A' ' 40' ' ' ARG . 2.7 tpm_? -57.8 157.95 6.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.6 pttt -84.42 139.36 38.6 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.529 0.681 . . . . 0.0 110.911 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 83.39 0.7 Allowed 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.703 2.269 . . . . 0.0 112.372 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 79.2 mtt-85 -153.33 142.38 14.58 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.6 0.714 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 109.52 2.32 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.679 2.253 . . . . 0.0 112.324 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.2 p -100.12 127.96 52.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.9 p -86.61 120.25 27.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -119.97 167.06 12.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.5 t -61.41 -62.38 1.87 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.504 ' C ' ' H ' ' A' ' 51' ' ' SER . . . 144.65 -92.1 0.16 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.51 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 17.62 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.65 2.233 . . . . 0.0 112.369 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.504 ' H ' ' C ' ' A' ' 49' ' ' GLY . 58.5 m -53.22 152.35 4.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.7 t -130.43 166.2 20.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.828 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.161 -0.799 . . . . 0.0 112.484 179.95 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.3 p -152.03 159.88 43.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.871 0.367 . . . . 0.0 110.848 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.7 m -45.94 -61.02 1.92 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.48 116.38 0.4 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.491 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.0 m -54.03 -47.96 71.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.886 0.374 . . . . 0.0 110.842 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.6 p -58.99 126.3 27.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.83 151.3 8.29 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.53 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -58.87 117.2 4.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.791 0.329 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -114.98 124.52 51.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -167.4 40.64 0.24 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.537 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -156.43 162.75 39.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.917 0.389 . . . . 0.0 110.897 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 6.2 p-90 -131.9 129.91 40.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -82.85 113.55 20.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.854 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 48.7 t -56.85 162.74 2.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.8 t -112.59 -30.76 7.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 99.2 t -68.94 -62.92 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.123 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.508 ' O ' ' CG2' ' A' ' 18' ' ' THR . 31.8 p -103.89 6.82 36.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.508 ' CG2' ' O ' ' A' ' 17' ' ' CYS . 9.5 t 47.91 32.06 2.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -87.29 139.65 30.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.5 ttm180 -82.02 113.87 20.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -110.82 178.68 4.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.4 m -103.69 157.33 17.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.04 -43.2 99.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -52.78 -47.67 67.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.852 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.8 122.65 12.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -68.61 -41.91 78.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.2 171.71 10.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.7 t -62.3 160.55 12.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -108.82 -28.95 8.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.484 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 2.1 tpt -78.9 -66.79 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.484 ' N ' ' HG3' ' A' ' 30' ' ' MET . 15.8 p -88.81 -23.3 22.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 67.68 46.37 1.33 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.2 p -95.9 134.42 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.135 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.402 ' NH1' ' HB2' ' A' ' 34' ' ' ARG . 7.2 ttm105 -58.3 138.83 56.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.8 ptmm? -104.11 170.11 8.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 119.83 114.92 2.5 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.464 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 32.8 m -60.38 -51.78 68.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.831 0.348 . . . . 0.0 111.204 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 87.3 p -66.84 -43.0 84.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 44.6 m -40.86 -47.32 2.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.187 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -74.2 117.17 15.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -125.67 152.75 72.61 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.551 0.691 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 175.66 7.84 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.68 2.253 . . . . 0.0 112.345 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 72.8 mtm180 -70.43 118.47 64.7 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.639 0.733 . . . . 0.0 110.83 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -171.45 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.712 2.274 . . . . 0.0 112.338 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.468 HG11 ' N ' ' A' ' 46' ' ' SER . 7.7 p -52.52 -42.85 40.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.121 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.468 ' N ' HG11 ' A' ' 45' ' ' VAL . 21.4 t 61.74 47.41 6.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.886 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -160.09 161.82 33.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.0 m -43.57 -46.75 7.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 84.74 91.7 0.78 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.504 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -23.9 30.28 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.692 2.261 . . . . 0.0 112.333 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.1 t -139.91 151.92 45.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.859 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.2 m -95.19 171.13 8.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.097 -0.835 . . . . 0.0 112.534 179.957 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.0 p -102.5 152.14 21.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.862 0.363 . . . . 0.0 110.888 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 t -78.14 -54.2 6.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.869 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.56 -167.52 26.29 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.5 m -75.27 104.24 5.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 0.0 110.866 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.3 t -67.43 -48.61 66.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.28 -151.86 20.94 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.471 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -82.5 165.9 19.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.798 0.332 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.422 ' HB3' ' CE2' ' A' ' 11' ' ' TYR . 52.3 mm-40 -104.25 137.06 42.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.33 52.59 0.63 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.5 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.422 ' CE2' ' HB3' ' A' ' 9' ' ' GLU . 8.4 p90 -147.6 151.37 36.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.876 0.369 . . . . 0.0 110.939 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 15.2 p-90 -109.31 136.63 48.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -82.54 139.94 33.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.84 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 53.3 t -88.76 162.54 16.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.3 t -115.89 -33.79 4.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.429 ' CG2' HG22 ' A' ' 33' ' ' VAL . 96.4 t -63.88 -61.69 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.14 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.406 ' SG ' ' CB ' ' A' ' 19' ' ' PHE . 29.7 p -107.51 4.08 25.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.0 p 52.23 32.03 10.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.199 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.406 ' CB ' ' SG ' ' A' ' 17' ' ' CYS . 84.3 t80 -89.17 161.44 16.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.1 ttp180 -101.92 121.68 42.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -119.09 157.28 28.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 57.3 m -84.5 141.29 30.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.67 -47.75 7.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.077 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -40.89 -55.55 2.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.58 127.73 32.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.054 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.503 ' CE2' ' CD ' ' A' ' 27' ' ' LYS . 7.6 p90 -77.22 -30.79 54.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.503 ' CD ' ' CE2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -120.58 160.93 22.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.1 t -57.83 164.16 2.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.8 tpp -107.32 -32.25 7.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.494 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 8.4 tpp -77.09 -66.49 0.82 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.494 ' N ' ' HG3' ' A' ' 30' ' ' MET . 18.0 p -88.01 -22.82 24.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.7 t70 66.92 48.0 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.429 HG22 ' CG2' ' A' ' 16' ' ' VAL . 7.8 p -93.03 152.77 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.167 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.66 144.34 56.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.441 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 1.8 ptmm? -107.66 -37.82 6.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 111.12 178.56 20.38 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.452 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.5 t -146.36 136.45 23.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.845 0.355 . . . . 0.0 111.133 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.7 m -61.89 122.98 16.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.853 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.2 t -92.97 -39.71 10.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.152 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 90.0 mtt-85 -67.44 145.69 54.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.432 ' C ' ' H ' ' A' ' 43' ' ' ARG . 18.5 mmmt -100.14 158.26 32.34 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.596 0.712 . . . . 0.0 110.879 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 11.05 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.432 ' H ' ' C ' ' A' ' 41' ' ' LYS . 17.5 tpp180 -62.21 136.09 95.33 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.562 0.696 . . . . 0.0 110.9 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 150.89 68.48 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.648 2.232 . . . . 0.0 112.315 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.2 t 58.87 46.82 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.7 t -94.12 -58.01 2.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.825 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.503 ' HG2' ' N ' ' A' ' 48' ' ' SER . 3.1 pm0 -71.64 -39.54 70.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.503 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.7 m -168.4 156.32 8.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.24 113.56 3.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.53 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -4.56 14.23 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.709 2.273 . . . . 0.0 112.339 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 28.9 p -84.75 17.91 2.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.0 t 61.93 42.35 10.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.459 -179.959 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.0 p -93.86 133.56 37.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.868 0.366 . . . . 0.0 110.899 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -141.04 173.34 11.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.08 -49.26 0.6 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.504 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -55.4 -52.22 64.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.876 0.369 . . . . 0.0 110.826 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.9 m -57.99 110.96 1.02 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.848 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.22 -49.34 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.501 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -116.6 115.89 26.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.754 0.312 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -74.89 164.29 26.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 149.59 -53.84 0.5 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.497 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -70.48 137.93 50.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.859 0.362 . . . . 0.0 110.918 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.507 ' CD2' ' HD2' ' A' ' 35' ' ' LYS . 22.3 p-90 -118.22 126.46 52.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.95 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.88 131.24 39.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.9 t -79.84 163.13 24.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.9 t -113.52 -31.42 6.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.6 t -69.99 -63.47 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.498 ' SG ' ' CG ' ' A' ' 30' ' ' MET . 30.0 p -103.64 9.41 37.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.454 ' CG2' ' O ' ' A' ' 17' ' ' CYS . 15.1 t 44.28 31.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.548 ' CE2' ' O ' ' A' ' 20' ' ' ARG . 62.9 t80 -83.77 169.86 14.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.548 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 1.5 tpp85 -107.41 134.44 50.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -135.4 173.05 12.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.6 m -110.8 150.89 28.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.804 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.78 -59.39 2.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.087 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 7.7 pt-20 -42.28 -38.12 1.71 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.434 ' N ' ' HG3' ' A' ' 24' ' ' GLU . . . -59.26 114.05 2.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.075 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -58.59 -45.34 89.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -141.03 170.01 16.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.96 161.78 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.3 ttm -114.45 -30.18 6.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.498 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 3.1 tpt -74.63 -63.42 1.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.48 ' N ' ' HG3' ' A' ' 30' ' ' MET . 21.8 p -92.15 -16.45 26.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 62.91 41.68 8.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.4 p -98.94 133.38 41.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.077 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.2 ttp180 -56.5 143.67 34.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.507 ' HD2' ' CD2' ' A' ' 12' ' ' TRP . 4.5 ptmt -109.34 -37.53 5.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.407 ' N ' ' HG3' ' A' ' 35' ' ' LYS . . . 112.72 -153.89 17.22 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.498 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.468 HG21 ' N ' ' A' ' 38' ' ' SER . 16.8 m -90.51 149.78 22.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 0.0 111.16 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.468 ' N ' HG21 ' A' ' 37' ' ' THR . 69.9 m -58.36 130.72 48.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.7 t -65.16 -24.13 67.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.173 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.2 mmt-85 -106.15 166.45 10.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.437 ' C ' ' H ' ' A' ' 43' ' ' ARG . 15.5 tptp -93.11 133.23 29.06 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.586 0.708 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 11.49 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.724 2.282 . . . . 0.0 112.308 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.437 ' H ' ' C ' ' A' ' 41' ' ' LYS . 16.6 ttm180 -115.78 127.55 26.69 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.609 0.719 . . . . 0.0 110.915 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 152.8 69.74 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.746 2.298 . . . . 0.0 112.351 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.2 m -96.51 144.89 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.4 m -77.36 -49.59 14.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -153.87 163.71 39.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.951 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 49' ' ' GLY . 38.9 t -122.59 128.93 51.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 48' ' ' SER . . . 37.22 82.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.464 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -38.77 7.26 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.688 2.259 . . . . 0.0 112.316 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 52.4 m -132.75 140.54 48.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.7 t -74.07 129.4 37.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.453 179.989 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.6 t -54.87 -49.27 71.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.363 . . . . 0.0 110.861 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.1 t -142.66 156.59 45.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.815 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.73 109.74 0.41 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t -90.02 128.69 36.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.9 0.381 . . . . 0.0 110.869 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 t -149.38 164.52 34.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.842 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.42 -166.52 22.81 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.502 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.39 131.12 54.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.773 0.321 . . . . 0.0 110.842 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -144.35 154.65 43.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 150.41 56.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.518 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -144.78 174.29 11.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.845 0.355 . . . . 0.0 110.935 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 26.6 p-90 -133.57 139.03 46.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -87.88 142.19 28.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.859 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 15' ' ' SER . 37.6 t -86.72 161.99 18.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.426 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 52.7 p -112.38 -34.38 5.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 73.6 t -67.15 -66.7 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.148 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.527 ' O ' ' CG2' ' A' ' 18' ' ' THR . 23.3 p -103.87 5.93 36.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.527 ' CG2' ' O ' ' A' ' 17' ' ' CYS . 12.3 t 47.91 32.05 2.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.198 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.443 ' CB ' ' SG ' ' A' ' 17' ' ' CYS . 55.2 t80 -89.04 124.85 34.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 44.7 ttp180 -71.88 127.6 33.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 19' ' ' PHE . 1.8 m-80 -120.76 167.75 12.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.0 m -89.55 144.2 26.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.93 -46.43 21.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.106 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -50.44 -31.18 14.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.61 113.75 15.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.078 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -58.54 -47.93 82.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.93 170.97 8.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.2 169.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.61 -32.51 6.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.485 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 2.1 tpp -79.37 -63.83 1.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.485 ' N ' ' HG3' ' A' ' 30' ' ' MET . 17.3 p -90.56 -18.31 25.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 t70 62.73 47.93 4.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.5 p -95.69 143.97 11.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.9 mmt-85 -60.67 146.51 45.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.91 177.95 4.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 47.83 45.17 25.02 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.48 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 67.2 p -97.83 -49.32 4.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.775 0.321 . . . . 0.0 111.153 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.4 m -54.77 -44.63 73.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.826 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 48.4 p -60.06 131.73 51.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.114 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -117.83 114.16 22.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -100.34 137.88 20.08 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.545 0.688 . . . . 0.0 110.929 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 93.46 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.131 0 C-N-CA 122.668 2.245 . . . . 0.0 112.34 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -93.13 129.38 39.57 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.646 0.736 . . . . 0.0 110.848 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -19.73 35.82 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.724 2.283 . . . . 0.0 112.331 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 20.0 m -137.04 142.47 37.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.09 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 75.3 m -79.24 -61.59 1.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.429 ' CD ' ' C ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -100.95 171.61 7.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.2 p -146.37 176.45 9.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.471 ' N ' ' HD2' ' A' ' 50' ' ' PRO . . . -65.26 -59.32 8.01 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.507 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.471 ' HD2' ' N ' ' A' ' 49' ' ' GLY . 53.6 Cg_endo -69.78 7.49 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.694 2.263 . . . . 0.0 112.363 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.404 ' H ' ' C ' ' A' ' 49' ' ' GLY . 3.9 m -54.77 -14.35 1.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.5 p -63.19 104.58 0.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.851 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.471 179.967 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -129.15 133.97 47.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 0.0 110.842 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.9 p 52.02 40.04 27.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 41.63 58.2 3.1 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.9 p -80.6 -43.85 19.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.901 0.381 . . . . 0.0 110.893 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.1 p -74.96 -47.65 28.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.855 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.46 -160.56 19.17 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.555 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -123.26 174.9 7.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.791 0.329 . . . . 0.0 110.833 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -91.06 129.2 37.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.405 ' C ' ' HB1' ' A' ' 23' ' ' ALA . . . 156.76 -45.39 0.51 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.522 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -54.44 139.21 38.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.895 0.378 . . . . 0.0 110.914 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.484 ' CE2' ' HD2' ' A' ' 35' ' ' LYS . 41.3 p-90 -115.96 135.33 54.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.936 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -82.92 113.97 20.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.846 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 15' ' ' SER . 30.2 t -59.29 161.7 5.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.433 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 21.3 t -114.91 -32.99 5.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 98.8 t -62.47 -61.68 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.118 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 31.4 p -109.75 5.02 22.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.6 p 53.14 33.4 15.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.169 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.413 ' CE2' ' O ' ' A' ' 20' ' ' ARG . 53.7 t80 -88.08 141.31 28.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.413 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 27.4 ttm180 -80.87 114.4 19.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -108.45 178.05 4.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 90.6 p -107.06 145.66 32.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.405 ' HB1' ' C ' ' A' ' 10' ' ' GLY . . . -48.35 -45.99 36.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.105 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.5 mp0 -51.1 -44.22 61.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.51 122.16 19.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.062 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -73.33 -43.83 60.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.45 176.89 5.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.2 t -76.34 163.01 27.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.5 ttt -106.37 -31.55 8.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.485 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 1.0 OUTLIER -81.67 -62.55 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.485 ' N ' ' HG3' ' A' ' 30' ' ' MET . 14.0 p -85.4 -17.53 36.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.1 t0 53.23 43.9 30.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.826 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.3 t -111.26 143.74 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.03 147.21 7.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.484 ' HD2' ' CE2' ' A' ' 12' ' ' TRP . 3.3 ptmm? -109.58 -35.07 6.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.947 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.435 ' N ' ' HG3' ' A' ' 35' ' ' LYS . . . -35.9 145.97 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.454 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 66.1 p -61.22 -38.43 86.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.771 0.32 . . . . 0.0 111.127 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.9 m -142.73 137.5 29.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 47.1 m -92.67 117.89 30.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.126 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -68.36 134.72 50.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.8 mmtm -102.87 126.67 31.93 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.602 0.715 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 148.18 64.69 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.688 2.259 . . . . 0.0 112.375 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -67.42 129.7 93.57 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.586 0.708 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -22.08 32.72 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.725 2.283 . . . . 0.0 112.347 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 35.8 m -91.61 -38.7 10.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.133 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 48' ' ' SER . 15.3 t -62.19 149.19 42.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.51 ' O ' ' CG ' ' A' ' 47' ' ' GLN . 0.1 OUTLIER 36.4 32.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.898 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 46' ' ' SER . 4.4 t -139.53 166.89 23.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 123.03 152.32 8.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.461 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 126.19 13.04 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.678 2.252 . . . . 0.0 112.331 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 39.5 m 59.38 41.35 19.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 38.5 p -118.53 131.03 56.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.857 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.479 -179.941 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.385 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.1 p -87.36 -40.38 14.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.879 0.371 . . . . 0.0 110.872 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.7 t -71.83 -56.48 5.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.98 166.68 14.3 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.514 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 6' ' ' SER . 25.8 m -62.27 -59.22 5.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.854 0.359 . . . . 0.0 110.832 -179.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 5' ' ' SER . 20.1 m -34.78 -54.55 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.15 71.99 1.25 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.484 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -138.05 140.41 40.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.799 0.333 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -74.27 139.88 44.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -152.57 -42.29 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.469 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 34.7 p90 -56.8 133.51 54.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.848 0.356 . . . . 0.0 110.925 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 18.4 p-90 -105.78 127.73 53.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -80.6 112.2 17.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 47.7 t -55.47 163.31 1.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.6 p -114.25 -32.63 5.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 74.1 t -67.94 -62.6 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.114 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.511 ' O ' ' CG2' ' A' ' 18' ' ' THR . 29.5 p -105.25 6.68 33.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.511 ' CG2' ' O ' ' A' ' 17' ' ' CYS . 9.3 t 48.01 31.94 2.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.406 ' CB ' ' SG ' ' A' ' 17' ' ' CYS . 89.6 t80 -85.95 140.04 30.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -83.85 122.66 29.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -120.75 165.97 14.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 59.6 p -85.45 152.14 23.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.3 -43.66 75.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -53.79 -42.29 68.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.59 121.33 13.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.149 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.26 -43.94 39.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.08 152.75 31.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -52.74 161.43 0.74 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 19.3 ttt -109.34 -29.59 8.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.496 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 11.9 tpp -77.54 -67.57 0.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.474 ' N ' ' HG3' ' A' ' 30' ' ' MET . 13.9 p -85.43 -21.45 28.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 36.0 t0 63.83 45.9 4.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.466 ' CG1' ' SG ' ' A' ' 31' ' ' CYS . 8.5 p -99.16 142.53 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 -57.88 143.88 40.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.1 ptmm? -104.71 178.29 4.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -42.08 -94.92 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.464 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 34.2 p -115.74 175.22 5.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.772 0.32 . . . . 0.0 111.147 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.3 p -112.61 162.06 16.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 71.4 p -129.8 147.43 51.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.123 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 22.3 ttt180 -167.21 172.14 10.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.7 ptmm? -147.31 124.82 5.84 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.592 0.71 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 149.57 66.82 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.679 2.253 . . . . 0.0 112.336 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.8 ptt-85 -53.81 115.72 8.62 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.6 0.714 . . . . 0.0 110.843 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -40.02 5.88 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.697 2.265 . . . . 0.0 112.323 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.6 t -132.08 120.69 44.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 98.0 p -121.59 169.01 11.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -133.54 132.99 41.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.1 m 53.68 41.96 31.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -98.88 146.19 18.03 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.482 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 156.69 62.59 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.653 2.235 . . . . 0.0 112.293 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 40.6 t -90.57 -61.56 1.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.8 p -90.4 -54.49 3.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.851 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.467 179.964 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.439 -0.264 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 t -61.25 128.92 38.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.915 0.388 . . . . 0.0 110.866 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.6 m -78.45 -50.46 11.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.839 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.29 -48.4 1.03 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 t -77.25 149.13 35.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 110.847 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m -102.08 126.48 49.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.833 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.97 102.13 0.21 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.491 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -79.9 -60.87 2.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.766 0.317 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -124.35 135.65 53.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.427 ' CA ' ' HB1' ' A' ' 23' ' ' ALA . . . -133.03 -46.16 0.11 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.528 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -55.1 151.61 8.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.878 0.37 . . . . 0.0 110.938 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 15.7 p-90 -134.35 120.12 19.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.47 125.68 24.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.434 ' HB3' ' CA ' ' A' ' 18' ' ' THR . 14.1 t -70.58 166.98 19.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.3 m -112.23 -34.19 5.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 87.8 t -77.73 -62.63 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.149 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.509 ' SG ' ' CG ' ' A' ' 30' ' ' MET . 18.8 p -104.77 6.83 34.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.434 ' CA ' ' HB3' ' A' ' 14' ' ' CYS . 14.5 t 42.13 31.99 0.28 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.463 ' CB ' ' SG ' ' A' ' 17' ' ' CYS . 80.1 t80 -79.59 143.32 34.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -74.22 114.67 12.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.846 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 19' ' ' PHE . 20.1 m-80 -116.61 162.5 17.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.6 m -95.22 158.75 15.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.427 ' HB1' ' CA ' ' A' ' 10' ' ' GLY . . . -60.1 -47.43 85.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.079 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -46.53 -49.6 18.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.81 113.36 6.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.073 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.569 ' CE1' ' CG ' ' A' ' 27' ' ' LYS . 2.8 p90 -66.45 -40.27 89.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.569 ' CG ' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -112.25 162.77 15.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 27.9 t -66.94 161.94 23.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 5.2 ttp -107.19 -31.33 8.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.509 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 1.8 tpt -73.63 -67.38 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.83 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.481 ' N ' ' HG3' ' A' ' 30' ' ' MET . 16.9 p -87.16 -25.21 24.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.834 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.0 t70 68.02 46.08 1.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.9 p -97.05 146.65 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -62.34 143.82 56.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.43 ' CD ' ' O ' ' A' ' 26' ' ' PHE . 2.1 ptmm? -104.97 148.75 26.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -175.37 70.23 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.6 p -94.54 -37.12 11.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.759 0.314 . . . . 0.0 111.102 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.0 t -99.85 141.7 32.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 28.6 m -53.18 -46.29 68.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.172 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -56.87 106.54 0.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -58.32 149.0 61.31 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.595 0.712 . . . . 0.0 110.871 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 105.63 1.52 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.681 2.254 . . . . 0.0 112.349 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -97.17 128.94 33.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.609 0.718 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 168.2 22.29 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.618 2.212 . . . . 0.0 112.356 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.0 p -136.38 131.47 48.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 55.9 m -75.18 -45.83 38.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -139.28 128.24 23.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 46.5 t -87.0 125.99 34.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 175.91 116.42 0.45 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 155.06 66.84 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.625 2.216 . . . . 0.0 112.35 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.5 t -68.5 -61.28 1.9 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 93.0 p -84.27 -44.75 13.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.125 -0.82 . . . . 0.0 112.522 -179.988 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.6 p -77.3 -44.45 29.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.897 0.379 . . . . 0.0 110.876 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.7 m -158.82 165.98 32.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.876 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.83 124.62 4.47 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.503 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.3 m -83.49 149.99 26.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.358 . . . . 0.0 110.873 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.0 t -73.29 -57.85 3.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.845 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.74 51.35 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.494 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -77.7 -60.37 2.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.802 0.334 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -114.96 148.24 39.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -173.29 -71.81 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.462 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.6 p90 -58.32 147.76 29.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.862 0.363 . . . . 0.0 110.874 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.536 ' CE2' ' HG3' ' A' ' 35' ' ' LYS . 30.4 p-90 -120.28 129.91 54.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.99 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -74.62 114.26 12.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.825 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.1 t -52.12 168.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 95.9 p -108.26 -37.96 5.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.3 t -77.82 -63.02 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.131 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.477 ' SG ' ' CG ' ' A' ' 30' ' ' MET . 14.5 p -90.25 -13.56 35.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.0 p 54.4 36.47 25.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.465 ' CE2' ' O ' ' A' ' 20' ' ' ARG . 90.5 t80 -89.97 165.3 14.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.913 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.465 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 20.2 ttp-105 -87.25 119.05 27.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -127.01 131.7 50.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.3 t -65.18 151.36 46.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.808 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.13 -45.07 87.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.116 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -53.96 -37.92 64.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.71 110.4 1.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.089 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.559 ' CE2' ' HG2' ' A' ' 27' ' ' LYS . 5.5 p90 -57.84 -37.97 74.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.559 ' HG2' ' CE2' ' A' ' 26' ' ' PHE . 10.8 pttm -127.83 170.33 12.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.7 t -66.95 161.27 24.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -108.65 -21.77 12.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.494 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 9.2 tpp -82.27 -64.53 1.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.494 ' N ' ' HG3' ' A' ' 30' ' ' MET . 31.1 p -93.26 -13.56 28.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 62.93 35.57 13.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.9 p -88.03 141.38 14.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.3 tpp180 -52.16 146.93 8.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.536 ' HG3' ' CE2' ' A' ' 12' ' ' TRP . 3.1 tmtt? -109.78 131.37 55.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 35' ' ' LYS . . . -34.89 -49.82 0.78 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.504 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.417 HG21 ' N ' ' A' ' 38' ' ' SER . 27.7 m -61.82 144.13 55.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.764 0.316 . . . . 0.0 111.118 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.417 ' N ' HG21 ' A' ' 37' ' ' THR . 15.8 m -85.37 173.01 10.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.8 t -92.59 156.73 16.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.131 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 40.0 ttm-85 -64.59 143.1 58.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -53.69 142.29 43.24 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.578 0.704 . . . . 0.0 110.908 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 -171.84 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.65 2.233 . . . . 0.0 112.339 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.1 mtm180 -103.31 103.47 35.26 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.599 0.714 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 104.35 1.31 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.698 2.265 . . . . 0.0 112.297 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.5 t -58.16 -58.66 5.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 78.0 p -106.96 113.47 26.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -114.56 137.17 52.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 69.7 m -48.64 -52.6 22.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.22 169.8 10.03 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.504 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -50.44 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.657 2.238 . . . . 0.0 112.312 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.8 t -123.61 164.24 19.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.94 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.4 t -104.13 143.59 32.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.48 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.1 p90 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.862 0.363 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 10.7 p-90 -110.63 129.77 55.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -81.14 114.44 19.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.895 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 46.5 t -56.93 164.41 1.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.0 p -114.91 -33.27 5.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.74 HG21 HG21 ' A' ' 33' ' ' VAL . 83.4 t -65.2 -56.27 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.48 ' SG ' ' CG ' ' A' ' 30' ' ' MET . 31.7 p -106.75 -1.33 22.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.3 p 55.07 32.27 17.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.15 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.409 ' CG ' ' N ' ' A' ' 20' ' ' ARG . 47.4 t80 -90.52 160.45 15.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.409 ' N ' ' CG ' ' A' ' 19' ' ' PHE . 23.9 ttm105 -89.82 120.86 31.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -120.99 148.54 43.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -87.53 154.77 20.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.17 -49.59 76.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.11 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -48.08 -38.5 17.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.06 117.01 7.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.119 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -57.66 -45.88 84.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -129.86 175.79 8.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.4 t -59.32 161.45 5.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.81 -32.23 6.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.883 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.483 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 0.4 OUTLIER -71.56 -64.83 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.58 ' SG ' HG12 ' A' ' 33' ' ' VAL . 21.2 p -91.9 -19.96 21.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 67.96 33.69 4.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.74 HG21 HG21 ' A' ' 16' ' ' VAL . 8.6 p -89.58 129.16 40.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.11 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.845 0.355 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 17.9 p-90 -116.46 129.69 56.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -74.94 137.62 41.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.8 t -84.68 163.51 19.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.3 m -113.4 -35.35 5.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.516 HG21 HG21 ' A' ' 33' ' ' VAL . 93.8 t -68.68 -64.63 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.163 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.502 ' SG ' ' CG ' ' A' ' 30' ' ' MET . 20.8 p -102.99 -3.48 25.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.898 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.5 p 53.96 32.0 14.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.154 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.411 ' CB ' ' SG ' ' A' ' 17' ' ' CYS . 52.2 t80 -87.32 143.41 27.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -80.2 120.37 24.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -122.72 152.52 40.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.0 t -69.71 154.64 41.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.74 -49.96 75.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.06 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -44.53 -46.24 9.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.26 110.92 3.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.06 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 28.9 p90 -65.62 -39.61 91.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.466 ' CD ' ' O ' ' A' ' 28' ' ' CYS . 0.3 OUTLIER -110.73 155.79 21.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.466 ' O ' ' CD ' ' A' ' 27' ' ' LYS . 8.9 t -56.62 163.97 1.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 71.1 mmm -109.08 -31.52 7.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.502 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -75.62 -64.02 1.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.48 ' N ' ' HG3' ' A' ' 30' ' ' MET . 17.3 p -90.12 -20.65 22.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 62.85 45.36 5.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.516 HG21 HG21 ' A' ' 16' ' ' VAL . 4.3 p -101.41 145.22 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.171 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.412 ' HD3' HG22 ' A' ' 33' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.0 p90 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.904 0.383 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 50.8 p-90 -99.22 133.91 42.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -83.93 159.67 21.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.818 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 15' ' ' SER . 33.3 t -102.23 162.22 13.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.438 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 3.3 m -112.45 -31.73 6.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.9 t -68.33 -65.35 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.507 ' SG ' ' CG ' ' A' ' 30' ' ' MET . 28.5 p -104.45 -2.17 25.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.3 p 55.82 32.93 20.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -87.74 139.63 30.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -74.86 121.81 22.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -121.8 146.02 47.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.873 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.0 t -73.05 148.31 44.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.844 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.4 -51.44 35.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -46.01 -46.76 16.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.76 113.02 1.84 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.107 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.451 ' CE1' ' HG2' ' A' ' 27' ' ' LYS . 8.8 p90 -64.72 -36.22 83.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.451 ' HG2' ' CE1' ' A' ' 26' ' ' PHE . 7.8 ptpt -124.74 162.79 23.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.3 t -52.54 167.0 0.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.65 -35.24 6.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.507 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 1.3 tpt -75.55 -63.96 1.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.477 ' N ' ' HG3' ' A' ' 30' ' ' MET . 16.7 p -88.11 -22.74 23.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 67.2 43.45 2.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.462 HG12 ' SG ' ' A' ' 31' ' ' CYS . 6.4 p -99.65 130.07 49.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.151 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.979 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.1 p90 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.828 0.347 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 37.6 p-90 -108.71 130.13 55.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -79.79 141.67 36.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.42 ' SG ' ' N ' ' A' ' 15' ' ' SER . 36.5 t -87.31 161.49 17.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.42 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 59.5 m -116.04 -33.05 5.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.688 HG21 HG21 ' A' ' 33' ' ' VAL . 94.1 t -63.51 -62.46 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.148 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.495 ' SG ' ' CG ' ' A' ' 30' ' ' MET . 27.0 p -107.93 5.81 26.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.3 p 52.58 32.21 11.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.595 ' CE2' ' O ' ' A' ' 20' ' ' ARG . 71.8 t80 -90.29 142.32 27.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.595 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 17.7 ttp-105 -83.72 135.86 34.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -138.83 167.06 22.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.8 m -95.03 161.04 14.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.22 -54.74 42.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.113 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 2.7 pt-20 -43.97 -34.25 1.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.407 ' N ' ' HG3' ' A' ' 24' ' ' GLU . . . -64.09 116.84 6.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.417 ' C ' ' HG3' ' A' ' 27' ' ' LYS . 5.2 p90 -54.65 -44.17 73.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.417 ' HG3' ' C ' ' A' ' 26' ' ' PHE . 26.8 mtpt -144.09 175.46 10.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.3 t -52.51 164.11 0.37 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.66 -34.4 6.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.495 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 2.8 tpt -72.99 -64.32 0.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.474 ' N ' ' HG3' ' A' ' 30' ' ' MET . 19.5 p -91.23 -21.1 21.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 64.77 43.32 4.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.688 HG21 HG21 ' A' ' 16' ' ' VAL . 7.5 p -94.4 137.26 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.134 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.8 p90 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.856 0.36 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 22.5 p-90 -125.6 140.36 52.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -81.07 140.47 35.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.6 t -87.28 163.08 17.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.2 m -111.09 -32.73 6.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.817 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 90.2 t -72.56 -65.08 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.15 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.2 p -103.6 -5.0 23.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.2 p 55.53 31.97 18.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.171 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -82.96 142.27 31.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -76.95 109.27 10.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -108.58 154.41 22.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.4 m -83.75 138.4 33.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 24' ' ' GLU . . . -39.6 -61.51 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 23' ' ' ALA . 17.0 tt0 -36.9 -49.6 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.7 110.46 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -54.8 -46.79 74.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.6 pttm -119.5 177.71 4.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.9 t -61.46 166.12 4.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.5 ttm -109.11 -33.5 6.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.479 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -76.43 -66.96 0.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.818 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.479 ' N ' ' HG3' ' A' ' 30' ' ' MET . 20.0 p -89.31 -21.02 23.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.867 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 65.18 48.0 2.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.5 p -93.55 150.37 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.155 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.882 0.372 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.437 ' CD1' ' O ' ' A' ' 22' ' ' SER . 7.2 p-90 -118.21 126.86 53.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.928 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.14 121.25 24.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.821 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 7.5 t -66.44 168.59 8.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.85 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.3 m -117.06 -33.7 4.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 86.6 t -71.19 -53.6 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.13 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.422 ' SG ' ' HB3' ' A' ' 19' ' ' PHE . 24.4 p -108.23 -5.36 16.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 45.1 p 52.16 36.98 20.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.581 ' CE2' ' HG3' ' A' ' 29' ' ' MET . 71.6 t80 -91.75 151.68 20.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.428 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 63.1 ttp85 -82.59 119.04 23.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -122.87 138.6 54.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.437 ' O ' ' CD1' ' A' ' 12' ' ' TRP . 89.2 p -59.49 178.16 0.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.35 -45.09 15.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -57.0 -39.87 75.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.7 112.93 1.02 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.096 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -63.87 -43.12 97.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.8 pttm -124.27 170.66 10.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.2 t -63.33 158.12 21.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.581 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 2.2 ppp? -106.25 -32.34 8.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.457 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 2.8 tpt -76.4 -66.25 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.545 ' SG ' HG12 ' A' ' 33' ' ' VAL . 12.6 p -86.82 -26.68 23.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 67.88 45.38 1.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.545 HG12 ' SG ' ' A' ' 31' ' ' CYS . 9.2 p -101.36 132.02 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 22.3 p90 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.845 0.355 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 20.3 p-90 -114.55 131.2 56.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -82.54 135.65 35.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.9 t -78.51 162.06 26.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.3 t -114.98 -33.88 5.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.597 HG21 HG21 ' A' ' 33' ' ' VAL . 83.1 t -63.98 -63.74 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.13 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.447 ' SG ' ' CB ' ' A' ' 19' ' ' PHE . 22.3 p -104.04 3.36 33.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.5 p 52.36 32.4 11.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.184 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.447 ' CB ' ' SG ' ' A' ' 17' ' ' CYS . 81.6 t80 -89.86 147.77 23.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 66.7 ttp85 -88.58 123.33 32.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -118.41 164.06 15.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.1 m -83.34 155.6 23.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.64 -51.26 69.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.102 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -49.87 -42.61 48.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.86 111.03 2.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.567 ' CE1' ' HG2' ' A' ' 27' ' ' LYS . 3.8 p90 -64.09 -44.97 90.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.858 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.567 ' HG2' ' CE1' ' A' ' 26' ' ' PHE . 39.6 pttt -111.8 164.65 12.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.954 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.1 t -58.12 165.61 1.86 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 16.1 tpt -108.46 -32.38 7.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.487 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 8.5 tpp -75.76 -65.36 0.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.487 ' N ' ' HG3' ' A' ' 30' ' ' MET . 21.8 p -89.45 -20.6 23.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 64.28 47.96 3.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.597 HG21 HG21 ' A' ' 16' ' ' VAL . 9.8 p -95.03 154.51 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.5 ptt-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.1 p90 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.85 0.357 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 52.8 p-90 -127.69 128.12 44.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -79.64 128.15 33.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 15' ' ' SER . 27.4 t -72.55 161.89 30.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.438 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 7.3 t -114.8 -31.85 5.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.474 HG21 HG11 ' A' ' 33' ' ' VAL . 86.9 t -63.46 -61.55 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.124 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 30.6 p -109.35 4.56 22.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.1 p 54.8 32.15 17.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.434 ' CE2' ' O ' ' A' ' 20' ' ' ARG . 86.7 t80 -89.08 145.39 25.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.434 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 19.8 ttm105 -83.24 125.9 32.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -124.27 170.08 11.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.3 m -100.1 150.14 22.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.58 -46.6 39.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -47.68 -58.9 3.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.97 117.7 3.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 1.6 t80 -68.1 -40.68 82.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.802 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -116.5 177.65 4.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.0 t -72.7 160.59 31.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.1 mmt -105.45 -27.41 11.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.476 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 0.9 OUTLIER -84.62 -61.88 1.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.476 ' N ' ' HG3' ' A' ' 30' ' ' MET . 14.3 p -85.83 -15.42 41.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 53.27 42.44 32.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.474 HG11 HG21 ' A' ' 16' ' ' VAL . 98.6 t -113.03 145.41 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.7 ptt180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.7 p90 . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.852 0.358 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 59.2 p-90 -110.7 132.34 54.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.927 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -77.42 155.45 31.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.784 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 51.9 t -95.1 163.71 13.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.2 m -110.08 -31.29 7.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.444 HG21 HG21 ' A' ' 33' ' ' VAL . 98.2 t -75.44 -63.33 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.106 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.1 p -105.91 0.64 26.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.8 p 49.01 31.99 3.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.409 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 83.7 t80 -82.84 142.85 31.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -73.18 127.68 33.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.409 ' ND2' ' O ' ' A' ' 19' ' ' PHE . 13.5 m-80 -129.2 154.77 46.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.2 m -79.06 144.73 34.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.97 -55.26 12.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -41.38 -47.39 3.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.79 125.88 24.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.561 ' CE2' ' HG2' ' A' ' 27' ' ' LYS . 6.5 p90 -75.73 -41.02 54.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.561 ' HG2' ' CE2' ' A' ' 26' ' ' PHE . 35.2 pttt -119.62 165.7 14.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.945 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.7 t -56.95 164.85 1.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 5.6 mtt -108.57 -35.4 6.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.484 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 10.5 tpp -75.62 -65.57 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.504 ' SG ' HG12 ' A' ' 33' ' ' VAL . 14.0 p -86.18 -21.93 27.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 61.91 46.79 6.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.504 HG12 ' SG ' ' A' ' 31' ' ' CYS . 10.0 p -99.47 143.94 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 54.3 ttt180 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 44.4 p90 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.833 0.349 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 26.2 p-90 -122.37 137.85 54.72 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -82.94 123.12 29.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 40.5 t -71.15 162.12 29.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.0 p -114.85 -30.42 6.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.63 HG21 HG11 ' A' ' 33' ' ' VAL . 82.8 t -67.87 -59.93 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.701 ' O ' HG22 ' A' ' 18' ' ' THR . 31.6 p -111.38 8.08 21.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.701 HG22 ' O ' ' A' ' 17' ' ' CYS . 12.0 t 48.08 32.06 2.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -87.7 152.18 22.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 46.6 ttp180 -87.23 125.54 34.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -122.48 177.97 5.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 88.2 p -99.01 141.83 31.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.67 -43.87 18.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.066 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -55.77 -53.77 52.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.863 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.59 118.52 3.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.134 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -77.63 -28.02 51.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.42 ' C ' ' HD3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -121.79 166.06 14.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -74.05 158.55 34.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.876 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 79.9 mmm -104.93 -26.81 12.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.469 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 0.9 OUTLIER -84.72 -62.78 1.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.469 ' N ' ' HG3' ' A' ' 30' ' ' MET . 14.3 p -84.89 -20.07 31.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 t70 57.52 43.71 22.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.63 HG11 HG21 ' A' ' 16' ' ' VAL . 77.7 t -113.16 135.68 51.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.404 ' HB2' ' O ' ' A' ' 21' ' ' ASN . 27.2 p90 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.872 0.368 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.535 ' CE2' ' HB2' ' A' ' 21' ' ' ASN . 29.9 p-90 -130.04 124.29 32.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.931 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.08 120.78 25.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.9 t -58.68 164.35 2.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.7 t -113.33 -33.57 5.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.825 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 92.2 t -67.45 -61.96 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.095 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.726 ' O ' HG22 ' A' ' 18' ' ' THR . 31.5 p -100.82 4.38 42.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.726 HG22 ' O ' ' A' ' 17' ' ' CYS . 11.9 t 48.73 32.13 3.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.47 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 94.2 t80 -92.52 128.12 38.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.846 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -58.99 119.23 6.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.535 ' HB2' ' CE2' ' A' ' 12' ' ' TRP . 1.7 m120 -107.95 163.73 12.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 74.3 p -107.04 136.61 46.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.58 -43.38 8.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.087 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -54.41 -46.6 73.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.33 104.37 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.118 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -43.98 -47.28 8.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -123.49 177.25 5.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.7 t -59.41 165.46 2.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.73 -29.82 6.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.511 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 0.7 OUTLIER -75.67 -63.39 1.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.481 ' N ' ' HG3' ' A' ' 30' ' ' MET . 31.3 p -90.79 -16.54 28.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 63.88 36.29 10.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.8 p -93.98 145.9 7.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.999 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 14.1 p90 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.882 0.372 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 13.0 p-90 -108.93 131.59 54.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.3 128.77 34.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.423 ' SG ' ' N ' ' A' ' 15' ' ' SER . 37.0 t -71.38 162.04 30.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.423 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 3.5 t -113.89 -30.43 6.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.647 HG21 HG21 ' A' ' 33' ' ' VAL . 93.8 t -65.82 -61.2 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.123 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.9 p -105.94 2.63 27.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.1 p 54.95 31.95 17.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.432 ' CE1' ' O ' ' A' ' 20' ' ' ARG . 58.1 t80 -93.04 139.28 30.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.432 ' O ' ' CE1' ' A' ' 19' ' ' PHE . 2.8 tmm_? -81.49 130.52 35.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.406 ' OD1' ' N ' ' A' ' 29' ' ' MET . 3.7 m-80 -123.8 177.72 5.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.3 p -99.2 159.62 14.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.3 -40.29 95.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.119 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -54.99 -44.31 74.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.88 128.09 34.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.139 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.431 ' CE2' ' HG2' ' A' ' 27' ' ' LYS . 3.1 p90 -77.03 -36.42 56.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.431 ' HG2' ' CE2' ' A' ' 26' ' ' PHE . 5.3 pttm -120.84 173.02 7.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.935 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.2 t -64.32 167.1 7.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.406 ' N ' ' OD1' ' A' ' 21' ' ' ASN . 20.0 ttt -107.58 -34.26 7.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.483 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 3.1 tpt -78.22 -66.46 0.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.503 ' C ' ' CG ' ' A' ' 32' ' ' ASP . 17.2 p -90.08 -12.25 38.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.503 ' CG ' ' C ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER 51.61 41.84 29.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.834 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.647 HG21 HG21 ' A' ' 16' ' ' VAL . 9.7 p -91.16 132.58 35.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 17.5 ttm105 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 179.997 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 35.7 p90 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.917 0.389 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 6.2 p-90 -131.9 129.91 40.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -82.85 113.55 20.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.854 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 48.7 t -56.85 162.74 2.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.8 t -112.59 -30.76 7.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.508 HG21 HG21 ' A' ' 33' ' ' VAL . 99.2 t -68.94 -62.92 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.123 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.703 ' O ' HG22 ' A' ' 18' ' ' THR . 31.8 p -103.89 6.82 36.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.703 HG22 ' O ' ' A' ' 17' ' ' CYS . 9.5 t 47.91 32.06 2.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -87.29 139.65 30.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.5 ttm180 -82.02 113.87 20.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -110.82 178.68 4.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.4 m -103.69 157.33 17.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.04 -43.2 99.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -52.78 -47.67 67.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.852 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.8 122.65 12.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -68.61 -41.91 78.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.2 171.71 10.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.7 t -62.3 160.55 12.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -108.82 -28.95 8.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.475 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 2.1 tpt -78.9 -66.79 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.475 ' N ' ' HG3' ' A' ' 30' ' ' MET . 15.8 p -88.81 -23.3 22.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 67.68 46.37 1.33 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.508 HG21 HG21 ' A' ' 16' ' ' VAL . 7.2 p -95.9 134.42 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.135 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.405 ' NH1' ' HB2' ' A' ' 34' ' ' ARG . 7.2 ttm105 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 8.4 p90 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.876 0.369 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 15.2 p-90 -109.31 136.63 48.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -82.54 139.94 33.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.84 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 53.3 t -88.76 162.54 16.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.3 t -115.89 -33.79 4.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.533 HG21 HG21 ' A' ' 33' ' ' VAL . 96.4 t -63.88 -61.69 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.14 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.406 ' SG ' ' CB ' ' A' ' 19' ' ' PHE . 29.7 p -107.51 4.08 25.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.0 p 52.23 32.03 10.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.199 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.406 ' CB ' ' SG ' ' A' ' 17' ' ' CYS . 84.3 t80 -89.17 161.44 16.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.1 ttp180 -101.92 121.68 42.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -119.09 157.28 28.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 57.3 m -84.5 141.29 30.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.67 -47.75 7.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.077 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -40.89 -55.55 2.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.58 127.73 32.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.054 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.507 ' CE2' ' HD2' ' A' ' 27' ' ' LYS . 7.6 p90 -77.22 -30.79 54.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.507 ' HD2' ' CE2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -120.58 160.93 22.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.1 t -57.83 164.16 2.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.8 tpp -107.32 -32.25 7.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.482 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 8.4 tpp -77.09 -66.49 0.82 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.482 ' N ' ' HG3' ' A' ' 30' ' ' MET . 18.0 p -88.01 -22.82 24.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.7 t70 66.92 48.0 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.533 HG21 HG21 ' A' ' 16' ' ' VAL . 7.8 p -93.03 152.77 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.167 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.8 p90 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.859 0.362 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 22.3 p-90 -118.22 126.46 52.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.95 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.88 131.24 39.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.9 t -79.84 163.13 24.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.9 t -113.52 -31.42 6.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.539 HG21 HG21 ' A' ' 33' ' ' VAL . 89.6 t -69.99 -63.47 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.539 ' O ' HG22 ' A' ' 18' ' ' THR . 30.0 p -103.64 9.41 37.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.539 HG22 ' O ' ' A' ' 17' ' ' CYS . 15.1 t 44.28 31.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.548 ' CE2' ' O ' ' A' ' 20' ' ' ARG . 62.9 t80 -83.77 169.86 14.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.548 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 1.5 tpp85 -107.41 134.44 50.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -135.4 173.05 12.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.502 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 18.6 m -110.8 150.89 28.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.804 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.78 -59.39 2.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.087 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.446 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 7.7 pt-20 -42.28 -38.12 1.71 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 22' ' ' SER . . . -59.26 114.05 2.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.075 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -58.59 -45.34 89.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -141.03 170.01 16.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.96 161.78 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.3 ttm -114.45 -30.18 6.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.498 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 3.1 tpt -74.63 -63.42 1.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.471 ' N ' ' HG3' ' A' ' 30' ' ' MET . 21.8 p -92.15 -16.45 26.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 62.91 41.68 8.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.539 HG21 HG21 ' A' ' 16' ' ' VAL . 4.4 p -98.94 133.38 41.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.077 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.2 ttp180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.854 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 19.3 p90 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.845 0.355 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 26.6 p-90 -133.57 139.03 46.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -87.88 142.19 28.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.859 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 15' ' ' SER . 37.6 t -86.72 161.99 18.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.426 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 52.7 p -112.38 -34.38 5.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 73.6 t -67.15 -66.7 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.148 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.693 ' O ' HG22 ' A' ' 18' ' ' THR . 23.3 p -103.87 5.93 36.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.693 HG22 ' O ' ' A' ' 17' ' ' CYS . 12.3 t 47.91 32.05 2.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.198 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.443 ' CB ' ' SG ' ' A' ' 17' ' ' CYS . 55.2 t80 -89.04 124.85 34.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 44.7 ttp180 -71.88 127.6 33.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 19' ' ' PHE . 1.8 m-80 -120.76 167.75 12.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.0 m -89.55 144.2 26.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.93 -46.43 21.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.106 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -50.44 -31.18 14.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.61 113.75 15.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.078 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -58.54 -47.93 82.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.93 170.97 8.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.2 169.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.61 -32.51 6.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.474 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 2.1 tpp -79.37 -63.83 1.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.474 ' N ' ' HG3' ' A' ' 30' ' ' MET . 17.3 p -90.56 -18.31 25.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 t70 62.73 47.93 4.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.5 p -95.69 143.97 11.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.9 mmt-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.986 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 11.2 p90 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.895 0.378 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 41.3 p-90 -115.96 135.33 54.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.936 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -82.92 113.97 20.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.846 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 15' ' ' SER . 30.2 t -59.29 161.7 5.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.433 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 21.3 t -114.91 -32.99 5.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.469 HG21 HG11 ' A' ' 33' ' ' VAL . 98.8 t -62.47 -61.68 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.118 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 31.4 p -109.75 5.02 22.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.6 p 53.14 33.4 15.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.169 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.413 ' CE2' ' O ' ' A' ' 20' ' ' ARG . 53.7 t80 -88.08 141.31 28.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.413 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 27.4 ttm180 -80.87 114.4 19.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -108.45 178.05 4.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 90.6 p -107.06 145.66 32.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.35 -45.99 36.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.105 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.43 ' H ' ' CD ' ' A' ' 24' ' ' GLU . 12.5 mp0 -51.1 -44.22 61.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.51 122.16 19.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.062 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -73.33 -43.83 60.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.45 176.89 5.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.2 t -76.34 163.01 27.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.5 ttt -106.37 -31.55 8.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.474 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 1.0 OUTLIER -81.67 -62.55 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.474 ' N ' ' HG3' ' A' ' 30' ' ' MET . 14.0 p -85.4 -17.53 36.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.1 t0 53.23 43.9 30.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.826 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.469 HG11 HG21 ' A' ' 16' ' ' VAL . 85.3 t -111.26 143.74 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 34.7 p90 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.848 0.356 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 18.4 p-90 -105.78 127.73 53.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -80.6 112.2 17.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 47.7 t -55.47 163.31 1.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.6 p -114.25 -32.63 5.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 74.1 t -67.94 -62.6 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.114 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.694 ' O ' HG22 ' A' ' 18' ' ' THR . 29.5 p -105.25 6.68 33.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.694 HG22 ' O ' ' A' ' 17' ' ' CYS . 9.3 t 48.01 31.94 2.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.406 ' CB ' ' SG ' ' A' ' 17' ' ' CYS . 89.6 t80 -85.95 140.04 30.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -83.85 122.66 29.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -120.75 165.97 14.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 59.6 p -85.45 152.14 23.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.3 -43.66 75.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -53.79 -42.29 68.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.59 121.33 13.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.149 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.26 -43.94 39.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.08 152.75 31.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -52.74 161.43 0.74 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 19.3 ttt -109.34 -29.59 8.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.496 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 11.9 tpp -77.54 -67.57 0.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.605 ' SG ' HG12 ' A' ' 33' ' ' VAL . 13.9 p -85.43 -21.45 28.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 36.0 t0 63.83 45.9 4.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.605 HG12 ' SG ' ' A' ' 31' ' ' CYS . 8.5 p -99.16 142.53 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.9 p90 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.878 0.37 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 15.7 p-90 -134.35 120.12 19.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.47 125.68 24.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.443 ' HB3' ' CA ' ' A' ' 18' ' ' THR . 14.1 t -70.58 166.98 19.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.3 m -112.23 -34.19 5.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 87.8 t -77.73 -62.63 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.149 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.509 ' SG ' ' CG ' ' A' ' 30' ' ' MET . 18.8 p -104.77 6.83 34.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.471 HG22 ' O ' ' A' ' 17' ' ' CYS . 14.5 t 42.13 31.99 0.28 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.463 ' CB ' ' SG ' ' A' ' 17' ' ' CYS . 80.1 t80 -79.59 143.32 34.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -74.22 114.67 12.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.846 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 19' ' ' PHE . 20.1 m-80 -116.61 162.5 17.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.6 m -95.22 158.75 15.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.1 -47.43 85.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.079 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -46.53 -49.6 18.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.81 113.36 6.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.073 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.587 ' CZ ' ' HG2' ' A' ' 27' ' ' LYS . 2.8 p90 -66.45 -40.27 89.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.587 ' HG2' ' CZ ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -112.25 162.77 15.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 27.9 t -66.94 161.94 23.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 5.2 ttp -107.19 -31.33 8.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.509 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 1.8 tpt -73.63 -67.38 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.83 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.475 ' N ' ' HG3' ' A' ' 30' ' ' MET . 16.9 p -87.16 -25.21 24.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.834 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.0 t70 68.02 46.08 1.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.9 p -97.05 146.65 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.976 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.6 p90 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.862 0.363 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 30.4 p-90 -120.28 129.91 54.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.99 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -74.62 114.26 12.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.825 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.1 t -52.12 168.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 95.9 p -108.26 -37.96 5.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.3 t -77.82 -63.02 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.131 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.477 ' SG ' ' CG ' ' A' ' 30' ' ' MET . 14.5 p -90.25 -13.56 35.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.0 p 54.4 36.47 25.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.465 ' CE2' ' O ' ' A' ' 20' ' ' ARG . 90.5 t80 -89.97 165.3 14.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.913 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.465 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 20.2 ttp-105 -87.25 119.05 27.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -127.01 131.7 50.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.3 t -65.18 151.36 46.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.808 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.13 -45.07 87.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.116 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -53.96 -37.92 64.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.71 110.4 1.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.089 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.571 ' CE2' ' HG2' ' A' ' 27' ' ' LYS . 5.5 p90 -57.84 -37.97 74.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.571 ' HG2' ' CE2' ' A' ' 26' ' ' PHE . 10.8 pttm -127.83 170.33 12.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.7 t -66.95 161.27 24.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -108.65 -21.77 12.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.482 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 9.2 tpp -82.27 -64.53 1.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.482 ' N ' ' HG3' ' A' ' 30' ' ' MET . 31.1 p -93.26 -13.56 28.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 62.93 35.57 13.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.479 HG12 ' SG ' ' A' ' 31' ' ' CYS . 9.9 p -88.03 141.38 14.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.3 tpp180 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.97 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.2 m -122.93 149.84 43.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.855 0.36 . . . . 0.0 110.88 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -132.74 114.25 13.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.832 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.19 83.46 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.442 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.5 m -65.77 110.63 2.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.87 0.367 . . . . 0.0 110.86 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.4 t -73.51 -50.21 22.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.0 -96.06 1.01 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.453 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.54 125.87 31.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.753 0.311 . . . . 0.0 110.853 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -79.99 161.85 25.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 145.74 45.89 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.485 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -64.48 138.04 58.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.862 0.363 . . . . 0.0 110.962 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.528 ' CD2' ' HD2' ' A' ' 35' ' ' LYS . 10.7 p-90 -110.63 129.77 55.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -81.14 114.44 19.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.895 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 46.5 t -56.93 164.41 1.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.0 p -114.91 -33.27 5.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.74 HG21 HG21 ' A' ' 33' ' ' VAL . 83.4 t -65.2 -56.27 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.48 ' SG ' ' CG ' ' A' ' 30' ' ' MET . 31.7 p -106.75 -1.33 22.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.3 p 55.07 32.27 17.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.15 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.409 ' CG ' ' N ' ' A' ' 20' ' ' ARG . 47.4 t80 -90.52 160.45 15.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.409 ' N ' ' CG ' ' A' ' 19' ' ' PHE . 23.9 ttm105 -89.82 120.86 31.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -120.99 148.54 43.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -87.53 154.77 20.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.17 -49.59 76.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.11 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -48.08 -38.5 17.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.06 117.01 7.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.119 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -57.66 -45.88 84.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -129.86 175.79 8.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.4 t -59.32 161.45 5.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.81 -32.23 6.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.883 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.483 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 0.4 OUTLIER -71.56 -64.83 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.58 ' SG ' HG12 ' A' ' 33' ' ' VAL . 21.2 p -91.9 -19.96 21.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 67.96 33.69 4.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.74 HG21 HG21 ' A' ' 16' ' ' VAL . 8.6 p -89.58 129.16 40.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.11 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.488 ' HD3' ' N ' ' A' ' 36' ' ' GLY . 0.0 OUTLIER -55.9 140.68 41.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.528 ' HD2' ' CD2' ' A' ' 12' ' ' TRP . 2.9 ptmm? -111.69 -37.99 5.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.488 ' N ' ' HD3' ' A' ' 34' ' ' ARG . . . -53.26 95.0 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 54.6 p -44.28 -55.54 4.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.804 0.335 . . . . 0.0 111.185 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.1 m 56.4 42.96 26.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.8 m -84.84 144.51 28.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.168 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -99.36 123.87 44.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.866 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -61.36 149.22 83.9 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.583 0.706 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 5.65 1.61 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.665 2.243 . . . . 0.0 112.382 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -52.17 152.24 6.08 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.635 0.731 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 158.43 57.03 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.706 2.27 . . . . 0.0 112.344 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.0 p -146.86 137.26 17.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 86.7 p -136.42 166.07 24.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.7 tm0? -61.43 127.04 29.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 92.9 p -71.82 109.15 5.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -115.27 -157.5 11.48 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.482 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 115.32 4.03 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.69 2.26 . . . . 0.0 112.347 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.4 t -56.86 -44.75 82.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.841 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 88.7 p -92.15 133.53 35.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.105 -0.831 . . . . 0.0 112.511 179.99 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.7 m -85.84 170.21 12.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.879 0.371 . . . . 0.0 110.894 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.4 p -104.73 143.94 32.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.77 -67.34 1.35 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.488 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -77.32 164.68 25.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.863 0.363 . . . . 0.0 110.846 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.7 p -117.52 149.07 41.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.83 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.16 172.31 43.38 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.499 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -62.59 -54.66 36.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.797 0.332 . . . . 0.0 110.853 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -151.01 126.2 9.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -157.74 40.89 0.53 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -160.35 154.78 23.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.845 0.355 . . . . 0.0 110.949 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 17.9 p-90 -116.46 129.69 56.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -74.94 137.62 41.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.8 t -84.68 163.51 19.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.3 m -113.4 -35.35 5.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.516 HG21 HG21 ' A' ' 33' ' ' VAL . 93.8 t -68.68 -64.63 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.163 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.502 ' SG ' ' CG ' ' A' ' 30' ' ' MET . 20.8 p -102.99 -3.48 25.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.898 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.5 p 53.96 32.0 14.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.154 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.411 ' CB ' ' SG ' ' A' ' 17' ' ' CYS . 52.2 t80 -87.32 143.41 27.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -80.2 120.37 24.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -122.72 152.52 40.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.0 t -69.71 154.64 41.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.74 -49.96 75.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.06 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -44.53 -46.24 9.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.26 110.92 3.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.06 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 28.9 p90 -65.62 -39.61 91.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.466 ' CD ' ' O ' ' A' ' 28' ' ' CYS . 0.3 OUTLIER -110.73 155.79 21.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.466 ' O ' ' CD ' ' A' ' 27' ' ' LYS . 8.9 t -56.62 163.97 1.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 71.1 mmm -109.08 -31.52 7.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.502 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -75.62 -64.02 1.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.48 ' N ' ' HG3' ' A' ' 30' ' ' MET . 17.3 p -90.12 -20.65 22.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 62.85 45.36 5.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.516 HG21 HG21 ' A' ' 16' ' ' VAL . 4.3 p -101.41 145.22 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.171 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.412 ' HD3' HG22 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -61.51 143.5 55.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.5 pttm -112.72 169.97 8.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.9 153.86 0.29 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 73.2 p -94.86 118.31 31.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.708 0.29 . . . . 0.0 111.164 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.7 t 58.81 42.19 20.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.3 t -44.97 -34.88 2.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.173 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -88.71 145.59 25.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.3 mttp -106.22 114.36 62.46 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.605 0.716 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 171.42 14.54 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.688 2.259 . . . . 0.0 112.37 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.19 152.15 6.95 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.627 0.727 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 6.39 1.32 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.682 2.254 . . . . 0.0 112.403 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.7 t -115.46 104.96 17.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.147 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.3 m -82.21 153.92 25.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.84 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -125.87 114.22 18.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.0 m -61.53 113.24 2.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.889 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.92 137.05 1.02 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.534 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -33.88 16.0 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.717 2.278 . . . . 0.0 112.35 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.0 m -120.96 137.89 54.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.5 t -138.95 165.75 26.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.843 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.439 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.4 p -101.36 130.36 47.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.932 0.396 . . . . 0.0 110.809 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.8 m -51.99 -61.93 1.95 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.9 154.96 51.55 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.443 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.3 p -82.27 127.01 32.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.914 0.387 . . . . 0.0 110.848 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 t -147.88 106.24 3.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.23 39.04 0.39 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.67 -55.45 3.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.761 0.315 . . . . 0.0 110.8 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -45.69 -42.8 12.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.8 80.67 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.485 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.0 p90 -150.9 135.93 17.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.904 0.383 . . . . 0.0 110.892 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.53 ' CD2' ' HD3' ' A' ' 35' ' ' LYS . 50.8 p-90 -99.22 133.91 42.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -83.93 159.67 21.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.818 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 15' ' ' SER . 33.3 t -102.23 162.22 13.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.438 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 3.3 m -112.45 -31.73 6.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.9 t -68.33 -65.35 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.507 ' SG ' ' CG ' ' A' ' 30' ' ' MET . 28.5 p -104.45 -2.17 25.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.3 p 55.82 32.93 20.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -87.74 139.63 30.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -74.86 121.81 22.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -121.8 146.02 47.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.873 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.0 t -73.05 148.31 44.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.844 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.4 -51.44 35.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -46.01 -46.76 16.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.76 113.02 1.84 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.107 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.451 ' CE1' ' HG2' ' A' ' 27' ' ' LYS . 8.8 p90 -64.72 -36.22 83.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.451 ' HG2' ' CE1' ' A' ' 26' ' ' PHE . 7.8 ptpt -124.74 162.79 23.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.3 t -52.54 167.0 0.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.65 -35.24 6.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.507 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 1.3 tpt -75.55 -63.96 1.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.477 ' N ' ' HG3' ' A' ' 30' ' ' MET . 16.7 p -88.11 -22.74 23.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 67.2 43.45 2.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.462 HG12 ' SG ' ' A' ' 31' ' ' CYS . 6.4 p -99.65 130.07 49.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.151 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -57.35 141.03 48.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.53 ' HD3' ' CD2' ' A' ' 12' ' ' TRP . 3.4 pttp -102.47 143.28 32.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -99.36 -167.06 30.0 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.471 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.549 HG22 ' O ' ' A' ' 37' ' ' THR . 18.2 m 54.84 40.32 31.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.747 0.308 . . . . 0.0 111.148 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.4 m -67.2 -55.55 13.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 79.8 p -56.02 166.05 0.85 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.134 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 -127.45 115.72 19.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.831 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 30.5 mttm -102.64 142.74 25.19 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.55 0.69 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -20.45 34.82 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.659 2.24 . . . . 0.0 112.391 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -158.03 122.62 2.25 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.639 0.733 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 83.02 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.681 2.254 . . . . 0.0 112.317 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.427 HG23 ' N ' ' A' ' 46' ' ' SER . 27.1 m -40.07 -41.59 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.427 ' N ' HG23 ' A' ' 45' ' ' VAL . 46.7 t -88.95 141.99 28.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.815 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -57.62 173.9 0.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.1 m -67.36 -62.11 1.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 92.51 161.24 36.38 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.505 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 142.36 47.56 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.632 2.222 . . . . 0.0 112.36 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 98.0 p -139.93 127.25 21.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.859 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.2 m -42.64 -57.57 2.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.871 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.465 179.969 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.6 p -57.28 -50.42 72.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.863 0.363 . . . . 0.0 110.879 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.0 t -89.61 148.2 23.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.846 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.43 75.21 0.53 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.484 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -89.63 -56.82 3.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.846 0.355 . . . . 0.0 110.849 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.1 p -103.05 146.1 28.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.97 58.95 0.54 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.469 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -82.54 129.7 34.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.815 0.341 . . . . 0.0 110.838 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -77.16 -49.59 14.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.93 -67.46 2.96 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.513 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -63.41 135.22 56.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.828 0.347 . . . . 0.0 110.932 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.513 ' CE2' ' HD3' ' A' ' 35' ' ' LYS . 37.6 p-90 -108.71 130.13 55.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -79.79 141.67 36.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.42 ' SG ' ' N ' ' A' ' 15' ' ' SER . 36.5 t -87.31 161.49 17.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.42 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 59.5 m -116.04 -33.05 5.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.688 HG21 HG21 ' A' ' 33' ' ' VAL . 94.1 t -63.51 -62.46 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.148 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.495 ' SG ' ' CG ' ' A' ' 30' ' ' MET . 27.0 p -107.93 5.81 26.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.3 p 52.58 32.21 11.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.595 ' CE2' ' O ' ' A' ' 20' ' ' ARG . 71.8 t80 -90.29 142.32 27.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.595 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 17.7 ttp-105 -83.72 135.86 34.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -138.83 167.06 22.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.8 m -95.03 161.04 14.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.22 -54.74 42.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.113 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 2.7 pt-20 -43.97 -34.25 1.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.407 ' N ' ' HG3' ' A' ' 24' ' ' GLU . . . -64.09 116.84 6.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.417 ' C ' ' HG3' ' A' ' 27' ' ' LYS . 5.2 p90 -54.65 -44.17 73.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.417 ' HG3' ' C ' ' A' ' 26' ' ' PHE . 26.8 mtpt -144.09 175.46 10.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.3 t -52.51 164.11 0.37 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.66 -34.4 6.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.495 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 2.8 tpt -72.99 -64.32 0.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.474 ' N ' ' HG3' ' A' ' 30' ' ' MET . 19.5 p -91.23 -21.1 21.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 64.77 43.32 4.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.688 HG21 HG21 ' A' ' 16' ' ' VAL . 7.5 p -94.4 137.26 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.134 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -61.46 137.08 58.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.513 ' HD3' ' CE2' ' A' ' 12' ' ' TRP . 14.9 pttm -104.58 177.47 4.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 161.1 149.87 5.74 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.479 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 32.2 m -99.45 140.93 32.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 111.155 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.3 t -51.15 -58.68 5.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.565 HG22 ' O ' ' A' ' 39' ' ' THR . 19.6 m 64.01 40.41 7.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.136 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -81.22 137.23 35.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -110.99 125.44 30.66 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.584 0.706 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -15.01 36.95 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.719 2.279 . . . . 0.0 112.382 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.6 mtp85 -62.63 121.64 68.9 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.558 0.694 . . . . 0.0 110.88 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 128.19 15.65 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.67 2.247 . . . . 0.0 112.308 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.3 t -70.05 106.15 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.7 t -137.1 121.84 18.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -99.73 106.61 18.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.3 m -68.31 -44.76 74.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.883 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 159.21 143.1 3.56 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.49 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 156.32 63.53 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.679 2.252 . . . . 0.0 112.326 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.0 m -123.94 115.82 21.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 53' ' ' GLY . 35.2 m -53.35 -49.72 66.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 52' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.163 -0.799 . . . . 0.0 112.451 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.3 m -57.33 144.99 33.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.936 0.398 . . . . 0.0 110.811 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.1 p -92.85 -44.17 8.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.04 -174.23 48.97 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.466 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.5 m -74.39 141.77 45.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.838 0.351 . . . . 0.0 110.84 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.0 m -75.26 -58.18 3.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.98 -172.55 25.77 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.2 p30 -129.13 160.23 33.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.773 0.32 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -96.44 110.38 22.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 150.7 70.09 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.507 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -161.5 153.32 19.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.856 0.36 . . . . 0.0 110.937 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 22.5 p-90 -125.6 140.36 52.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -81.07 140.47 35.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.6 t -87.28 163.08 17.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.2 m -111.09 -32.73 6.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.817 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 90.2 t -72.56 -65.08 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.15 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.2 p -103.6 -5.0 23.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.2 p 55.53 31.97 18.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.171 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -82.96 142.27 31.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -76.95 109.27 10.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.405 ' OD1' ' SG ' ' A' ' 28' ' ' CYS . 4.4 m-80 -108.58 154.41 22.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.4 m -83.75 138.4 33.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 24' ' ' GLU . . . -39.6 -61.51 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 23' ' ' ALA . 17.0 tt0 -36.9 -49.6 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.7 110.46 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -54.8 -46.79 74.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.6 pttm -119.5 177.71 4.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.405 ' SG ' ' OD1' ' A' ' 21' ' ' ASN . 3.9 t -61.46 166.12 4.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.5 ttm -109.11 -33.5 6.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.479 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -76.43 -66.96 0.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.818 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.479 ' N ' ' HG3' ' A' ' 30' ' ' MET . 20.0 p -89.31 -21.02 23.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.867 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 65.18 48.0 2.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.5 p -93.55 150.37 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.155 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -66.41 140.52 58.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 36' ' ' GLY . 7.6 ptmt -110.99 -35.97 5.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.415 ' N ' ' HG3' ' A' ' 35' ' ' LYS . . . -60.08 116.39 9.01 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.499 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 36.8 m -65.55 -54.81 22.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.818 0.342 . . . . 0.0 111.175 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.7 m -90.57 158.01 17.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 74.3 m -57.37 -53.97 52.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.131 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -127.81 164.28 22.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.841 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.423 ' C ' ' HD3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -137.61 152.53 72.96 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.544 0.687 . . . . 0.0 110.884 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 111.11 2.74 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.705 2.27 . . . . 0.0 112.33 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 68.0 mtm180 -56.01 148.08 41.19 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.605 0.717 . . . . 0.0 110.864 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -176.42 1.49 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.705 2.27 . . . . 0.0 112.326 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 32.5 m -106.87 135.01 46.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.4 t -82.67 175.82 9.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -91.5 150.18 21.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.5 t -56.39 148.14 19.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.84 156.86 22.11 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.477 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 136.79 33.81 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.707 2.271 . . . . 0.0 112.35 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 60.3 p -83.39 -37.13 23.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 65.4 m -146.02 174.11 11.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.862 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.498 -179.951 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 t -118.76 106.96 13.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.906 0.384 . . . . 0.0 110.826 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.2 t -96.44 132.98 41.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.84 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.64 -114.65 0.3 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.489 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -71.8 -45.49 61.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.912 0.387 . . . . 0.0 110.867 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.6 t -111.47 132.13 54.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.877 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.46 51.08 0.56 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -154.43 175.18 13.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.753 0.311 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -73.9 175.38 7.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 127.83 -48.98 0.94 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.488 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -58.0 154.45 12.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.882 0.372 . . . . 0.0 110.934 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.53 ' CD2' ' HD2' ' A' ' 35' ' ' LYS . 7.2 p-90 -118.21 126.86 53.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.928 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.14 121.25 24.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.821 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 7.5 t -66.44 168.59 8.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.85 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.3 m -117.06 -33.7 4.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 86.6 t -71.19 -53.6 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.13 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.422 ' SG ' ' HB3' ' A' ' 19' ' ' PHE . 24.4 p -108.23 -5.36 16.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 45.1 p 52.16 36.98 20.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.581 ' CE2' ' HG3' ' A' ' 29' ' ' MET . 71.6 t80 -91.75 151.68 20.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.428 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 63.1 ttp85 -82.59 119.04 23.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -122.87 138.6 54.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.437 ' O ' ' CD1' ' A' ' 12' ' ' TRP . 89.2 p -59.49 178.16 0.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.35 -45.09 15.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -57.0 -39.87 75.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.7 112.93 1.02 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.096 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -63.87 -43.12 97.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.8 pttm -124.27 170.66 10.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.2 t -63.33 158.12 21.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.581 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 2.2 ppp? -106.25 -32.34 8.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.457 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 2.8 tpt -76.4 -66.25 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.545 ' SG ' HG12 ' A' ' 33' ' ' VAL . 12.6 p -86.82 -26.68 23.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 67.88 45.38 1.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.545 HG12 ' SG ' ' A' ' 31' ' ' CYS . 9.2 p -101.36 132.02 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.451 ' CZ ' ' HA2' ' A' ' 36' ' ' GLY . 2.8 tmt_? -52.03 139.96 21.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.53 ' HD2' ' CD2' ' A' ' 12' ' ' TRP . 0.0 OUTLIER -112.84 -37.96 4.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.451 ' HA2' ' CZ ' ' A' ' 34' ' ' ARG . . . 107.33 -165.19 13.08 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.448 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.0 m -77.59 117.79 19.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 111.118 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.5 p -88.03 -42.03 12.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 79.5 p -63.41 108.67 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -55.72 -50.2 70.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.0 ttmm -96.81 103.36 14.48 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.554 0.693 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -174.2 0.86 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.702 2.268 . . . . 0.0 112.332 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -113.95 139.38 23.52 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.679 0.752 . . . . 0.0 110.854 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -50.55 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.681 2.254 . . . . 0.0 112.356 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 33.5 m -140.75 139.58 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.5 m -119.59 119.08 32.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.823 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.45 ' HG3' ' N ' ' A' ' 48' ' ' SER . 8.8 pt20 -83.8 -35.57 24.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.904 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.45 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 3.2 m -64.11 -60.95 2.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.62 -114.02 4.9 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.454 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 2.8 3.16 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.702 2.268 . . . . 0.0 112.35 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 45.4 m -100.63 160.74 14.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.6 m -95.82 17.71 14.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.118 -0.823 . . . . 0.0 112.489 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.3 m -131.47 136.75 48.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.924 0.392 . . . . 0.0 110.843 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.8 t -83.11 -62.03 1.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.84 153.14 1.06 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.495 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.3 m -93.38 128.57 39.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 0.0 110.844 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.1 t -62.61 156.59 22.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.16 -51.08 3.1 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.474 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -49.01 -50.93 33.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.797 0.332 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -80.41 110.66 16.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 23' ' ' ALA . . . 148.33 33.58 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.439 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -82.9 149.06 27.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.845 0.355 . . . . 0.0 110.924 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.502 ' CD2' ' HD2' ' A' ' 35' ' ' LYS . 20.3 p-90 -114.55 131.2 56.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -82.54 135.65 35.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.9 t -78.51 162.06 26.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.3 t -114.98 -33.88 5.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.597 HG21 HG21 ' A' ' 33' ' ' VAL . 83.1 t -63.98 -63.74 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.13 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.447 ' SG ' ' CB ' ' A' ' 19' ' ' PHE . 22.3 p -104.04 3.36 33.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.5 p 52.36 32.4 11.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.184 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.447 ' CB ' ' SG ' ' A' ' 17' ' ' CYS . 81.6 t80 -89.86 147.77 23.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 66.7 ttp85 -88.58 123.33 32.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -118.41 164.06 15.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.1 m -83.34 155.6 23.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.424 ' HB2' ' O ' ' A' ' 10' ' ' GLY . . . -56.64 -51.26 69.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.102 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -49.87 -42.61 48.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.86 111.03 2.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.567 ' CE1' ' HG2' ' A' ' 27' ' ' LYS . 3.8 p90 -64.09 -44.97 90.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.858 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.567 ' HG2' ' CE1' ' A' ' 26' ' ' PHE . 39.6 pttt -111.8 164.65 12.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.954 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.1 t -58.12 165.61 1.86 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 16.1 tpt -108.46 -32.38 7.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.487 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 8.5 tpp -75.76 -65.36 0.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.487 ' N ' ' HG3' ' A' ' 30' ' ' MET . 21.8 p -89.45 -20.6 23.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 64.28 47.96 3.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.597 HG21 HG21 ' A' ' 16' ' ' VAL . 9.8 p -95.03 154.51 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.5 ptt-85 -74.48 139.62 44.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.502 ' HD2' ' CD2' ' A' ' 12' ' ' TRP . 7.3 pttm -112.67 174.98 5.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.93 89.13 0.1 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.49 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.3 m -123.79 139.93 53.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.774 0.321 . . . . 0.0 111.119 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.8 m -136.89 174.89 10.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.9 m -84.61 -53.01 5.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.139 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 18.8 tpt180 -127.82 125.14 39.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.4 mtpp -91.68 117.16 67.62 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.634 0.73 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 6.28 1.37 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.659 2.239 . . . . 0.0 112.353 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.0 mtp180 -104.02 160.4 26.19 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.595 0.712 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 165.48 30.78 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.7 2.266 . . . . 0.0 112.316 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 98.4 t -45.39 -51.79 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -152.29 156.33 39.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -77.07 154.64 33.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.1 t 59.73 42.0 17.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -104.78 -110.31 3.49 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -49.42 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.637 2.225 . . . . 0.0 112.361 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.0 m -104.93 165.6 10.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.5 m -113.99 159.69 19.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.82 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.487 -179.978 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.5 m -44.26 -58.68 2.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.944 0.402 . . . . 0.0 110.885 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -63.65 154.47 32.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.09 -169.67 41.55 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.523 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.6 m -119.5 132.84 55.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.893 0.378 . . . . 0.0 110.84 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.1 m -97.19 148.28 23.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.27 144.37 12.22 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -128.34 108.27 10.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.799 0.333 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.446 ' HG3' ' N ' ' A' ' 10' ' ' GLY . 3.6 pt-20 -47.28 -35.0 7.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.633 ' O ' ' HB2' ' A' ' 23' ' ' ALA . . . -78.69 73.44 2.26 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.476 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -132.18 155.65 47.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.85 0.357 . . . . 0.0 110.938 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.519 ' CD2' ' HD2' ' A' ' 35' ' ' LYS . 52.8 p-90 -127.69 128.12 44.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -79.64 128.15 33.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 15' ' ' SER . 27.4 t -72.55 161.89 30.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.438 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 7.3 t -114.8 -31.85 5.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.474 HG21 HG11 ' A' ' 33' ' ' VAL . 86.9 t -63.46 -61.55 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.124 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 30.6 p -109.35 4.56 22.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.1 p 54.8 32.15 17.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.434 ' CE2' ' O ' ' A' ' 20' ' ' ARG . 86.7 t80 -89.08 145.39 25.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.434 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 19.8 ttm105 -83.24 125.9 32.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -124.27 170.08 11.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.3 m -100.1 150.14 22.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.633 ' HB2' ' O ' ' A' ' 10' ' ' GLY . . . -48.58 -46.6 39.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -47.68 -58.9 3.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.97 117.7 3.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 1.6 t80 -68.1 -40.68 82.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.802 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -116.5 177.65 4.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.0 t -72.7 160.59 31.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.1 mmt -105.45 -27.41 11.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.476 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 0.9 OUTLIER -84.62 -61.88 1.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.476 ' N ' ' HG3' ' A' ' 30' ' ' MET . 14.3 p -85.83 -15.42 41.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 53.27 42.44 32.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.474 HG11 HG21 ' A' ' 16' ' ' VAL . 98.6 t -113.03 145.41 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.7 ptt180 -52.05 150.59 4.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.519 ' HD2' ' CD2' ' A' ' 12' ' ' TRP . 3.3 ptmm? -110.55 -33.45 6.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.432 ' N ' ' HG3' ' A' ' 35' ' ' LYS . . . 140.34 97.33 0.33 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.499 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 91.9 m -42.77 -44.72 4.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.787 0.327 . . . . 0.0 111.144 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.3 m -116.25 174.44 6.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.884 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 54.7 p -126.06 153.35 44.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.16 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 25.6 ttp180 -37.83 -54.16 1.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -88.83 109.38 29.68 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.582 0.706 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -11.9 31.72 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.712 2.275 . . . . 0.0 112.324 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -82.36 161.35 59.85 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.616 0.722 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 154.93 67.14 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.647 2.232 . . . . 0.0 112.357 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 29.5 m -89.59 -32.61 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.178 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 35.5 t -167.83 159.01 11.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -54.07 137.8 39.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.941 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.0 m -93.33 126.38 38.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.82 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -108.75 156.27 15.75 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.467 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 100.07 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.685 2.257 . . . . 0.0 112.36 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.0 t -110.55 128.21 55.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.3 m -75.76 -54.57 6.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.152 -0.804 . . . . 0.0 112.472 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 t -104.84 115.45 30.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.901 0.382 . . . . 0.0 110.853 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.4 p -106.31 159.64 15.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.54 -129.63 7.4 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.492 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 m -96.01 105.22 17.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.844 0.354 . . . . 0.0 110.841 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 t -147.81 150.63 34.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.862 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.06 99.25 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.501 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -52.65 164.67 0.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.786 0.327 . . . . 0.0 110.861 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 56.66 41.39 28.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -105.44 55.82 0.55 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.496 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -155.4 143.56 20.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.852 0.358 . . . . 0.0 110.908 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 59.2 p-90 -110.7 132.34 54.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.927 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -77.42 155.45 31.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.784 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 51.9 t -95.1 163.71 13.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.2 m -110.08 -31.29 7.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.444 HG21 HG21 ' A' ' 33' ' ' VAL . 98.2 t -75.44 -63.33 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.106 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.1 p -105.91 0.64 26.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.8 p 49.01 31.99 3.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.409 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 83.7 t80 -82.84 142.85 31.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -73.18 127.68 33.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.409 ' ND2' ' O ' ' A' ' 19' ' ' PHE . 13.5 m-80 -129.2 154.77 46.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.2 m -79.06 144.73 34.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.97 -55.26 12.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -41.38 -47.39 3.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.79 125.88 24.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.561 ' CE2' ' HG2' ' A' ' 27' ' ' LYS . 6.5 p90 -75.73 -41.02 54.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.561 ' HG2' ' CE2' ' A' ' 26' ' ' PHE . 35.2 pttt -119.62 165.7 14.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.945 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.7 t -56.95 164.85 1.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 5.6 mtt -108.57 -35.4 6.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.484 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 10.5 tpp -75.62 -65.57 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.504 ' SG ' HG12 ' A' ' 33' ' ' VAL . 14.0 p -86.18 -21.93 27.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 61.91 46.79 6.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.504 HG12 ' SG ' ' A' ' 31' ' ' CYS . 10.0 p -99.47 143.94 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 54.3 ttt180 -57.09 143.62 37.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.43 170.97 7.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.939 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 124.46 62.79 0.18 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.45 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.0 t -75.79 -40.11 55.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.812 0.339 . . . . 0.0 111.13 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.6 t -63.75 -53.87 44.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.6 t -61.07 -31.49 71.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.135 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.5 mtt180 -79.88 102.06 8.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.843 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.7 mmmt -75.7 122.4 87.01 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.575 0.703 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 2.79 3.24 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.709 2.273 . . . . 0.0 112.332 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.5 mtp85 -59.83 144.23 86.12 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.592 0.711 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 6.19 1.41 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.699 2.266 . . . . 0.0 112.356 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 45' ' ' VAL . 34.3 m -79.83 127.96 38.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.7 t -107.46 145.77 32.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -157.16 141.12 16.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.6 p -130.68 149.51 52.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 128.86 155.13 8.48 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.466 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 105.7 1.53 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.685 2.257 . . . . 0.0 112.364 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 89.5 p -63.47 123.51 18.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.836 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.5 t -166.29 155.64 11.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.903 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.5 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.9 m -50.13 -46.25 53.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.859 0.361 . . . . 0.0 110.835 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.8 t -45.68 -53.1 9.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.11 138.77 8.47 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.469 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m -84.76 -44.32 13.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.896 0.379 . . . . 0.0 110.827 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.3 m -68.57 117.6 10.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.36 -127.48 3.12 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.441 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -101.97 140.8 35.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.742 0.306 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 51.98 40.35 28.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -114.85 43.62 1.65 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.54 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -153.84 154.51 34.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.833 0.349 . . . . 0.0 110.913 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.526 ' CD2' ' HD2' ' A' ' 35' ' ' LYS . 26.2 p-90 -122.37 137.85 54.72 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -82.94 123.12 29.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 40.5 t -71.15 162.12 29.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.0 p -114.85 -30.42 6.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.63 HG21 HG11 ' A' ' 33' ' ' VAL . 82.8 t -67.87 -59.93 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.701 ' O ' HG22 ' A' ' 18' ' ' THR . 31.6 p -111.38 8.08 21.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.701 HG22 ' O ' ' A' ' 17' ' ' CYS . 12.0 t 48.08 32.06 2.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -87.7 152.18 22.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 46.6 ttp180 -87.23 125.54 34.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -122.48 177.97 5.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 88.2 p -99.01 141.83 31.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.67 -43.87 18.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.066 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -55.77 -53.77 52.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.863 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.59 118.52 3.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.134 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -77.63 -28.02 51.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.42 ' C ' ' HD3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -121.79 166.06 14.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -74.05 158.55 34.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.876 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 79.9 mmm -104.93 -26.81 12.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.469 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 0.9 OUTLIER -84.72 -62.78 1.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.469 ' N ' ' HG3' ' A' ' 30' ' ' MET . 14.3 p -84.89 -20.07 31.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 t70 57.52 43.71 22.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.63 HG11 HG21 ' A' ' 16' ' ' VAL . 77.7 t -113.16 135.68 51.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.01 148.1 6.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.526 ' HD2' ' CD2' ' A' ' 12' ' ' TRP . 2.3 ptmm? -110.26 9.77 23.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -81.68 160.26 41.17 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.473 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 68.9 p -84.32 -45.4 12.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.761 0.315 . . . . 0.0 111.125 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.2 t -124.1 128.01 48.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.834 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.9 m -74.82 107.85 7.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.133 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.4 mtt85 -90.08 -51.18 5.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.491 ' CG ' ' HG2' ' A' ' 43' ' ' ARG . 8.8 tptp -78.27 134.37 63.0 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.523 0.677 . . . . 0.0 110.947 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 4.74 2.0 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.668 2.246 . . . . 0.0 112.375 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.491 ' HG2' ' CG ' ' A' ' 41' ' ' LYS . 7.1 ptm180 -96.01 117.69 66.16 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.591 0.71 . . . . 0.0 110.868 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.416 ' O ' ' CG1' ' A' ' 45' ' ' VAL . 53.5 Cg_endo -69.76 -51.7 0.37 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.745 2.297 . . . . 0.0 112.339 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.416 ' CG1' ' O ' ' A' ' 44' ' ' PRO . 33.9 m -158.0 146.73 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.2 m -157.93 138.73 13.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -129.34 110.34 11.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.94 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.8 t -142.95 142.12 31.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.844 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -76.79 -77.35 0.79 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 145.68 58.1 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.729 2.286 . . . . 0.0 112.332 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.8 t -87.66 -49.95 6.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.9 t -39.84 -43.87 1.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.515 179.965 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -75.34 102.44 5.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.872 0.367 . . . . 0.0 110.878 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -77.99 -47.53 18.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.98 112.85 4.78 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.483 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -61.94 165.67 5.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.9 0.381 . . . . 0.0 110.878 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.2 m -149.79 176.04 11.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.29 53.31 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.445 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.18 -37.78 6.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.824 0.345 . . . . 0.0 110.866 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -54.38 155.06 4.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.13 46.88 0.11 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.404 ' HB2' ' O ' ' A' ' 21' ' ' ASN . 27.2 p90 -154.12 157.37 38.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.872 0.368 . . . . 0.0 110.92 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.535 ' CE2' ' HB2' ' A' ' 21' ' ' ASN . 29.9 p-90 -130.04 124.29 32.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.931 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.08 120.78 25.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.9 t -58.68 164.35 2.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.7 t -113.33 -33.57 5.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.825 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 92.2 t -67.45 -61.96 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.095 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.726 ' O ' HG22 ' A' ' 18' ' ' THR . 31.5 p -100.82 4.38 42.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.726 HG22 ' O ' ' A' ' 17' ' ' CYS . 11.9 t 48.73 32.13 3.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.47 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 94.2 t80 -92.52 128.12 38.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.846 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -58.99 119.23 6.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.535 ' HB2' ' CE2' ' A' ' 12' ' ' TRP . 1.7 m120 -107.95 163.73 12.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 74.3 p -107.04 136.61 46.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.58 -43.38 8.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.087 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -54.41 -46.6 73.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.33 104.37 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.118 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -43.98 -47.28 8.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -123.49 177.25 5.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.7 t -59.41 165.46 2.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.73 -29.82 6.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.511 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 0.7 OUTLIER -75.67 -63.39 1.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.481 ' N ' ' HG3' ' A' ' 30' ' ' MET . 31.3 p -90.79 -16.54 28.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 63.88 36.29 10.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.8 p -93.98 145.9 7.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -60.63 143.73 53.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -100.76 145.01 29.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 133.5 97.65 0.63 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 89.7 m -48.23 -50.0 31.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.823 0.344 . . . . 0.0 111.148 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.7 t -105.72 144.28 32.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.6 t -67.43 -40.47 85.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.161 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -60.62 157.41 14.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -137.98 145.06 46.4 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.57 0.7 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 6.29 1.37 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.658 2.239 . . . . 0.0 112.313 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.402 ' HA ' ' HD2' ' A' ' 44' ' ' PRO . 14.5 ttt85 -54.11 108.79 1.23 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.574 0.702 . . . . 0.0 110.871 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 43' ' ' ARG . 54.0 Cg_endo -69.76 3.47 2.75 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.647 2.231 . . . . 0.0 112.369 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.0 t -97.66 136.67 27.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.086 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.6 t -63.01 149.89 43.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.8 mp0 -81.73 11.94 4.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 73.9 m -65.03 -64.61 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 120.83 -77.41 0.32 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.482 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 88.69 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.673 2.249 . . . . 0.0 112.339 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.1 m -138.42 124.19 19.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.6 m -73.6 -61.63 1.77 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.107 -0.829 . . . . 0.0 112.526 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 1' ' ' GLY . 36.0 p -34.68 -52.24 0.51 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.851 0.358 . . . . 0.0 110.809 -179.717 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.4 m -95.15 155.48 16.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.91 -92.02 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.479 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -159.46 172.45 17.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.907 0.384 . . . . 0.0 110.825 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.9 p -126.6 150.28 48.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.818 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.85 -60.3 0.64 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.494 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.99 -60.57 2.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.738 0.304 . . . . 0.0 110.816 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -110.35 105.24 14.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.1 69.69 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -155.57 141.84 18.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.882 0.372 . . . . 0.0 110.886 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.442 ' CE3' ' HD2' ' A' ' 35' ' ' LYS . 13.0 p-90 -108.93 131.59 54.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.3 128.77 34.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.423 ' SG ' ' N ' ' A' ' 15' ' ' SER . 37.0 t -71.38 162.04 30.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.423 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 3.5 t -113.89 -30.43 6.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.647 HG21 HG21 ' A' ' 33' ' ' VAL . 93.8 t -65.82 -61.2 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.123 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.9 p -105.94 2.63 27.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.1 p 54.95 31.95 17.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.432 ' CE1' ' O ' ' A' ' 20' ' ' ARG . 58.1 t80 -93.04 139.28 30.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.432 ' O ' ' CE1' ' A' ' 19' ' ' PHE . 2.8 tmm_? -81.49 130.52 35.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.406 ' OD1' ' N ' ' A' ' 29' ' ' MET . 3.7 m-80 -123.8 177.72 5.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.3 p -99.2 159.62 14.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.3 -40.29 95.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.119 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -54.99 -44.31 74.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.88 128.09 34.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.139 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.431 ' CE2' ' HG2' ' A' ' 27' ' ' LYS . 3.1 p90 -77.03 -36.42 56.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.431 ' HG2' ' CE2' ' A' ' 26' ' ' PHE . 5.3 pttm -120.84 173.02 7.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.935 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.2 t -64.32 167.1 7.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.406 ' N ' ' OD1' ' A' ' 21' ' ' ASN . 20.0 ttt -107.58 -34.26 7.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.483 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 3.1 tpt -78.22 -66.46 0.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.503 ' C ' ' CG ' ' A' ' 32' ' ' ASP . 17.2 p -90.08 -12.25 38.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.503 ' CG ' ' C ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER 51.61 41.84 29.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.834 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.647 HG21 HG21 ' A' ' 16' ' ' VAL . 9.7 p -91.16 132.58 35.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 17.5 ttm105 -52.09 140.78 19.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.442 ' HD2' ' CE3' ' A' ' 12' ' ' TRP . 8.1 pttm -111.12 -36.99 5.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -53.35 108.09 0.71 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 93.6 m -50.84 -60.99 2.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.817 0.342 . . . . 0.0 111.17 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.4 m -76.48 118.95 19.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 89.6 m -138.86 145.15 39.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.419 ' NE ' ' HA ' ' A' ' 40' ' ' ARG . 2.7 tpm_? -57.8 157.95 6.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.6 pttt -84.42 139.36 38.6 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.529 0.681 . . . . 0.0 110.911 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 83.39 0.7 Allowed 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.703 2.269 . . . . 0.0 112.372 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 79.2 mtt-85 -153.33 142.38 14.58 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.6 0.714 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 109.52 2.32 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.679 2.253 . . . . 0.0 112.324 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.2 p -100.12 127.96 52.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.9 p -86.61 120.25 27.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -119.97 167.06 12.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.5 t -61.41 -62.38 1.87 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.463 ' C ' ' H ' ' A' ' 51' ' ' SER . . . 144.65 -92.1 0.16 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.51 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 17.62 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.65 2.233 . . . . 0.0 112.369 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.463 ' H ' ' C ' ' A' ' 49' ' ' GLY . 58.5 m -53.22 152.35 4.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.7 t -130.43 166.2 20.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.828 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.161 -0.799 . . . . 0.0 112.484 179.95 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.3 p -152.03 159.88 43.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.871 0.367 . . . . 0.0 110.848 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.7 m -45.94 -61.02 1.92 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.48 116.38 0.4 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.491 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.0 m -54.03 -47.96 71.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.886 0.374 . . . . 0.0 110.842 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.6 p -58.99 126.3 27.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.83 151.3 8.29 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.53 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -58.87 117.2 4.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.791 0.329 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -114.98 124.52 51.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -167.4 40.64 0.24 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.537 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -156.43 162.75 39.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.917 0.389 . . . . 0.0 110.897 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 6.2 p-90 -131.9 129.91 40.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -82.85 113.55 20.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.854 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 48.7 t -56.85 162.74 2.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.8 t -112.59 -30.76 7.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.508 HG21 HG21 ' A' ' 33' ' ' VAL . 99.2 t -68.94 -62.92 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.123 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.703 ' O ' HG22 ' A' ' 18' ' ' THR . 31.8 p -103.89 6.82 36.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.703 HG22 ' O ' ' A' ' 17' ' ' CYS . 9.5 t 47.91 32.06 2.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -87.29 139.65 30.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.5 ttm180 -82.02 113.87 20.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -110.82 178.68 4.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.4 m -103.69 157.33 17.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.04 -43.2 99.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -52.78 -47.67 67.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.852 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.8 122.65 12.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -68.61 -41.91 78.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.2 171.71 10.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.7 t -62.3 160.55 12.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -108.82 -28.95 8.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.475 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 2.1 tpt -78.9 -66.79 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.475 ' N ' ' HG3' ' A' ' 30' ' ' MET . 15.8 p -88.81 -23.3 22.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 67.68 46.37 1.33 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.508 HG21 HG21 ' A' ' 16' ' ' VAL . 7.2 p -95.9 134.42 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.135 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.405 ' NH1' ' HB2' ' A' ' 34' ' ' ARG . 7.2 ttm105 -58.3 138.83 56.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.8 ptmm? -104.11 170.11 8.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 119.83 114.92 2.5 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.464 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 32.8 m -60.38 -51.78 68.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.831 0.348 . . . . 0.0 111.204 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 87.3 p -66.84 -43.0 84.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 44.6 m -40.86 -47.32 2.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.187 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -74.2 117.17 15.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -125.67 152.75 72.61 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.551 0.691 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 175.66 7.84 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.68 2.253 . . . . 0.0 112.345 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 72.8 mtm180 -70.43 118.47 64.7 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.639 0.733 . . . . 0.0 110.83 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -171.45 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.712 2.274 . . . . 0.0 112.338 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.435 HG13 ' N ' ' A' ' 46' ' ' SER . 7.7 p -52.52 -42.85 40.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.121 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.435 ' N ' HG13 ' A' ' 45' ' ' VAL . 21.4 t 61.74 47.41 6.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.886 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -160.09 161.82 33.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.0 m -43.57 -46.75 7.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 84.74 91.7 0.78 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.504 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -23.9 30.28 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.692 2.261 . . . . 0.0 112.333 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.1 t -139.91 151.92 45.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.859 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.2 m -95.19 171.13 8.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.097 -0.835 . . . . 0.0 112.534 179.957 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.0 p -102.5 152.14 21.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.862 0.363 . . . . 0.0 110.888 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 t -78.14 -54.2 6.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.869 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.56 -167.52 26.29 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.5 m -75.27 104.24 5.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 0.0 110.866 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.3 t -67.43 -48.61 66.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.28 -151.86 20.94 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.471 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -82.5 165.9 19.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.798 0.332 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.427 ' HB3' ' CE2' ' A' ' 11' ' ' TYR . 52.3 mm-40 -104.25 137.06 42.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.33 52.59 0.63 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.5 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.427 ' CE2' ' HB3' ' A' ' 9' ' ' GLU . 8.4 p90 -147.6 151.37 36.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.876 0.369 . . . . 0.0 110.939 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 15.2 p-90 -109.31 136.63 48.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -82.54 139.94 33.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.84 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 53.3 t -88.76 162.54 16.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.3 t -115.89 -33.79 4.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.533 HG21 HG21 ' A' ' 33' ' ' VAL . 96.4 t -63.88 -61.69 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.14 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.406 ' SG ' ' CB ' ' A' ' 19' ' ' PHE . 29.7 p -107.51 4.08 25.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.0 p 52.23 32.03 10.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.199 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.406 ' CB ' ' SG ' ' A' ' 17' ' ' CYS . 84.3 t80 -89.17 161.44 16.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.1 ttp180 -101.92 121.68 42.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -119.09 157.28 28.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 57.3 m -84.5 141.29 30.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.67 -47.75 7.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.077 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -40.89 -55.55 2.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.58 127.73 32.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.054 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.507 ' CE2' ' HD2' ' A' ' 27' ' ' LYS . 7.6 p90 -77.22 -30.79 54.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.507 ' HD2' ' CE2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -120.58 160.93 22.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.1 t -57.83 164.16 2.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.8 tpp -107.32 -32.25 7.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.482 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 8.4 tpp -77.09 -66.49 0.82 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.482 ' N ' ' HG3' ' A' ' 30' ' ' MET . 18.0 p -88.01 -22.82 24.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.7 t70 66.92 48.0 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.533 HG21 HG21 ' A' ' 16' ' ' VAL . 7.8 p -93.03 152.77 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.167 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.66 144.34 56.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.441 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 1.8 ptmm? -107.66 -37.82 6.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 111.12 178.56 20.38 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.452 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.5 t -146.36 136.45 23.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.845 0.355 . . . . 0.0 111.133 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.7 m -61.89 122.98 16.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.853 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.2 t -92.97 -39.71 10.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.152 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 90.0 mtt-85 -67.44 145.69 54.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.417 ' C ' ' H ' ' A' ' 43' ' ' ARG . 18.5 mmmt -100.14 158.26 32.34 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.596 0.712 . . . . 0.0 110.879 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 11.05 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.417 ' H ' ' C ' ' A' ' 41' ' ' LYS . 17.5 tpp180 -62.21 136.09 95.33 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.562 0.696 . . . . 0.0 110.9 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 150.89 68.48 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.648 2.232 . . . . 0.0 112.315 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.56 ' O ' HG12 ' A' ' 45' ' ' VAL . 22.2 t 58.87 46.82 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.7 t -94.12 -58.01 2.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.825 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.494 ' HG2' ' N ' ' A' ' 48' ' ' SER . 3.1 pm0 -71.64 -39.54 70.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.494 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.7 m -168.4 156.32 8.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.542 ' HA2' HG13 ' A' ' 45' ' ' VAL . . . -87.24 113.56 3.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.53 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -4.56 14.23 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.709 2.273 . . . . 0.0 112.339 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 28.9 p -84.75 17.91 2.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.0 t 61.93 42.35 10.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.459 -179.959 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.0 p -93.86 133.56 37.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.868 0.366 . . . . 0.0 110.899 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -141.04 173.34 11.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.08 -49.26 0.6 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.504 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -55.4 -52.22 64.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.876 0.369 . . . . 0.0 110.826 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.9 m -57.99 110.96 1.02 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.848 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.22 -49.34 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.501 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -116.6 115.89 26.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.754 0.312 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.426 ' H ' ' CD ' ' A' ' 9' ' ' GLU . 1.1 pm0 -74.89 164.29 26.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.5 ' O ' ' HB2' ' A' ' 23' ' ' ALA . . . 149.59 -53.84 0.5 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.497 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -70.48 137.93 50.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.859 0.362 . . . . 0.0 110.918 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.513 ' CD2' ' HD2' ' A' ' 35' ' ' LYS . 22.3 p-90 -118.22 126.46 52.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.95 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.88 131.24 39.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.9 t -79.84 163.13 24.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.9 t -113.52 -31.42 6.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.539 HG21 HG21 ' A' ' 33' ' ' VAL . 89.6 t -69.99 -63.47 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.539 ' O ' HG22 ' A' ' 18' ' ' THR . 30.0 p -103.64 9.41 37.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.539 HG22 ' O ' ' A' ' 17' ' ' CYS . 15.1 t 44.28 31.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.548 ' CE2' ' O ' ' A' ' 20' ' ' ARG . 62.9 t80 -83.77 169.86 14.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.548 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 1.5 tpp85 -107.41 134.44 50.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -135.4 173.05 12.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.502 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 18.6 m -110.8 150.89 28.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.804 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' A' ' 10' ' ' GLY . . . -44.78 -59.39 2.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.087 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.446 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 7.7 pt-20 -42.28 -38.12 1.71 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 22' ' ' SER . . . -59.26 114.05 2.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.075 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -58.59 -45.34 89.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -141.03 170.01 16.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.96 161.78 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.3 ttm -114.45 -30.18 6.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.498 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 3.1 tpt -74.63 -63.42 1.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.471 ' N ' ' HG3' ' A' ' 30' ' ' MET . 21.8 p -92.15 -16.45 26.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 62.91 41.68 8.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.539 HG21 HG21 ' A' ' 16' ' ' VAL . 4.4 p -98.94 133.38 41.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.077 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.2 ttp180 -56.5 143.67 34.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.513 ' HD2' ' CD2' ' A' ' 12' ' ' TRP . 4.5 ptmt -109.34 -37.53 5.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.419 ' N ' ' HG3' ' A' ' 35' ' ' LYS . . . 112.72 -153.89 17.22 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.498 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.8 m -90.51 149.78 22.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 0.0 111.16 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.9 m -58.36 130.72 48.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.7 t -65.16 -24.13 67.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.173 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.2 mmt-85 -106.15 166.45 10.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.402 ' C ' ' H ' ' A' ' 43' ' ' ARG . 15.5 tptp -93.11 133.23 29.06 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.586 0.708 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 11.49 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.724 2.282 . . . . 0.0 112.308 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.402 ' H ' ' C ' ' A' ' 41' ' ' LYS . 16.6 ttm180 -115.78 127.55 26.69 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.609 0.719 . . . . 0.0 110.915 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 152.8 69.74 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.746 2.298 . . . . 0.0 112.351 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.2 m -96.51 144.89 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.4 m -77.36 -49.59 14.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -153.87 163.71 39.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.951 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 49' ' ' GLY . 38.9 t -122.59 128.93 51.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 48' ' ' SER . . . 37.22 82.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.464 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -38.77 7.26 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.688 2.259 . . . . 0.0 112.316 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 52.4 m -132.75 140.54 48.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.7 t -74.07 129.4 37.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.453 179.989 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.6 t -54.87 -49.27 71.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.363 . . . . 0.0 110.861 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.1 t -142.66 156.59 45.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.815 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.73 109.74 0.41 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t -90.02 128.69 36.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.9 0.381 . . . . 0.0 110.869 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 t -149.38 164.52 34.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.842 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.42 -166.52 22.81 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.502 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.39 131.12 54.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.773 0.321 . . . . 0.0 110.842 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -144.35 154.65 43.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.804 ' O ' ' HB2' ' A' ' 23' ' ' ALA . . . 150.41 56.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.518 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -144.78 174.29 11.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.845 0.355 . . . . 0.0 110.935 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 26.6 p-90 -133.57 139.03 46.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -87.88 142.19 28.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.859 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 15' ' ' SER . 37.6 t -86.72 161.99 18.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.426 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 52.7 p -112.38 -34.38 5.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 73.6 t -67.15 -66.7 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.148 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.693 ' O ' HG22 ' A' ' 18' ' ' THR . 23.3 p -103.87 5.93 36.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.693 HG22 ' O ' ' A' ' 17' ' ' CYS . 12.3 t 47.91 32.05 2.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.198 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.443 ' CB ' ' SG ' ' A' ' 17' ' ' CYS . 55.2 t80 -89.04 124.85 34.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 44.7 ttp180 -71.88 127.6 33.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 19' ' ' PHE . 1.8 m-80 -120.76 167.75 12.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.0 m -89.55 144.2 26.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.804 ' HB2' ' O ' ' A' ' 10' ' ' GLY . . . -46.93 -46.43 21.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.106 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -50.44 -31.18 14.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.61 113.75 15.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.078 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -58.54 -47.93 82.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.93 170.97 8.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.2 169.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.61 -32.51 6.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.474 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 2.1 tpp -79.37 -63.83 1.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.474 ' N ' ' HG3' ' A' ' 30' ' ' MET . 17.3 p -90.56 -18.31 25.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 t70 62.73 47.93 4.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.5 p -95.69 143.97 11.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.9 mmt-85 -60.67 146.51 45.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.91 177.95 4.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 47.83 45.17 25.02 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.48 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 67.2 p -97.83 -49.32 4.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.775 0.321 . . . . 0.0 111.153 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.4 m -54.77 -44.63 73.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.826 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 48.4 p -60.06 131.73 51.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.114 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -117.83 114.16 22.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -100.34 137.88 20.08 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.545 0.688 . . . . 0.0 110.929 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 93.46 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.131 0 C-N-CA 122.668 2.245 . . . . 0.0 112.34 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -93.13 129.38 39.57 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.646 0.736 . . . . 0.0 110.848 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -19.73 35.82 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.724 2.283 . . . . 0.0 112.331 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 20.0 m -137.04 142.47 37.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.09 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 75.3 m -79.24 -61.59 1.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.429 ' CD ' ' C ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -100.95 171.61 7.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.2 p -146.37 176.45 9.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.486 ' N ' ' HD2' ' A' ' 50' ' ' PRO . . . -65.26 -59.32 8.01 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.507 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 49' ' ' GLY . 53.6 Cg_endo -69.78 7.49 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.694 2.263 . . . . 0.0 112.363 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.9 m -54.77 -14.35 1.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.5 p -63.19 104.58 0.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.851 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.471 179.967 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -129.15 133.97 47.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 0.0 110.842 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.9 p 52.02 40.04 27.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 41.63 58.2 3.1 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.9 p -80.6 -43.85 19.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.901 0.381 . . . . 0.0 110.893 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.1 p -74.96 -47.65 28.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.855 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.46 -160.56 19.17 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.555 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -123.26 174.9 7.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.791 0.329 . . . . 0.0 110.833 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -91.06 129.2 37.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.526 ' C ' ' HB2' ' A' ' 23' ' ' ALA . . . 156.76 -45.39 0.51 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.522 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -54.44 139.21 38.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.895 0.378 . . . . 0.0 110.914 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.501 ' CE2' ' HD2' ' A' ' 35' ' ' LYS . 41.3 p-90 -115.96 135.33 54.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.936 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -82.92 113.97 20.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.846 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 15' ' ' SER . 30.2 t -59.29 161.7 5.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.433 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 21.3 t -114.91 -32.99 5.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.469 HG21 HG11 ' A' ' 33' ' ' VAL . 98.8 t -62.47 -61.68 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.118 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 31.4 p -109.75 5.02 22.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.6 p 53.14 33.4 15.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.169 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.413 ' CE2' ' O ' ' A' ' 20' ' ' ARG . 53.7 t80 -88.08 141.31 28.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.413 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 27.4 ttm180 -80.87 114.4 19.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -108.45 178.05 4.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 90.6 p -107.06 145.66 32.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.526 ' HB2' ' C ' ' A' ' 10' ' ' GLY . . . -48.35 -45.99 36.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.105 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.43 ' H ' ' CD ' ' A' ' 24' ' ' GLU . 12.5 mp0 -51.1 -44.22 61.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.51 122.16 19.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.062 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -73.33 -43.83 60.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.45 176.89 5.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.2 t -76.34 163.01 27.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.5 ttt -106.37 -31.55 8.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.474 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 1.0 OUTLIER -81.67 -62.55 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.474 ' N ' ' HG3' ' A' ' 30' ' ' MET . 14.0 p -85.4 -17.53 36.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.1 t0 53.23 43.9 30.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.826 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.469 HG11 HG21 ' A' ' 16' ' ' VAL . 85.3 t -111.26 143.74 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.03 147.21 7.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.501 ' HD2' ' CE2' ' A' ' 12' ' ' TRP . 3.3 ptmm? -109.58 -35.07 6.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.947 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.446 ' N ' ' HG3' ' A' ' 35' ' ' LYS . . . -35.9 145.97 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.454 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 66.1 p -61.22 -38.43 86.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.771 0.32 . . . . 0.0 111.127 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.9 m -142.73 137.5 29.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 47.1 m -92.67 117.89 30.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.126 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -68.36 134.72 50.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.8 mmtm -102.87 126.67 31.93 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.602 0.715 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 148.18 64.69 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.688 2.259 . . . . 0.0 112.375 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.484 ' HG3' HG22 ' A' ' 45' ' ' VAL . 11.1 tpp180 -67.42 129.7 93.57 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.586 0.708 . . . . 0.0 110.891 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -22.08 32.72 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.725 2.283 . . . . 0.0 112.347 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.484 HG22 ' HG3' ' A' ' 43' ' ' ARG . 35.8 m -91.61 -38.7 10.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.133 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 48' ' ' SER . 15.3 t -62.19 149.19 42.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.51 ' O ' ' CG ' ' A' ' 47' ' ' GLN . 0.1 OUTLIER 36.4 32.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.898 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 46' ' ' SER . 4.4 t -139.53 166.89 23.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 123.03 152.32 8.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.461 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 126.19 13.04 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.678 2.252 . . . . 0.0 112.331 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 39.5 m 59.38 41.35 19.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 38.5 p -118.53 131.03 56.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.857 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.479 -179.941 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.385 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.1 p -87.36 -40.38 14.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.879 0.371 . . . . 0.0 110.872 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.7 t -71.83 -56.48 5.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.98 166.68 14.3 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.514 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 6' ' ' SER . 25.8 m -62.27 -59.22 5.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.854 0.359 . . . . 0.0 110.832 -179.721 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 5' ' ' SER . 20.1 m -34.78 -54.55 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.15 71.99 1.25 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.484 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -138.05 140.41 40.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.799 0.333 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -74.27 139.88 44.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -152.57 -42.29 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.469 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 34.7 p90 -56.8 133.51 54.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.848 0.356 . . . . 0.0 110.925 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 18.4 p-90 -105.78 127.73 53.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -80.6 112.2 17.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 47.7 t -55.47 163.31 1.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.6 p -114.25 -32.63 5.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 74.1 t -67.94 -62.6 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.114 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.694 ' O ' HG22 ' A' ' 18' ' ' THR . 29.5 p -105.25 6.68 33.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.694 HG22 ' O ' ' A' ' 17' ' ' CYS . 9.3 t 48.01 31.94 2.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.406 ' CB ' ' SG ' ' A' ' 17' ' ' CYS . 89.6 t80 -85.95 140.04 30.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -83.85 122.66 29.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -120.75 165.97 14.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 59.6 p -85.45 152.14 23.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.3 -43.66 75.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -53.79 -42.29 68.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.59 121.33 13.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.149 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.26 -43.94 39.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.08 152.75 31.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -52.74 161.43 0.74 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 19.3 ttt -109.34 -29.59 8.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.496 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 11.9 tpp -77.54 -67.57 0.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.605 ' SG ' HG12 ' A' ' 33' ' ' VAL . 13.9 p -85.43 -21.45 28.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 36.0 t0 63.83 45.9 4.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.605 HG12 ' SG ' ' A' ' 31' ' ' CYS . 8.5 p -99.16 142.53 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 -57.88 143.88 40.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.1 ptmm? -104.71 178.29 4.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -42.08 -94.92 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.464 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 34.2 p -115.74 175.22 5.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.772 0.32 . . . . 0.0 111.147 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.3 p -112.61 162.06 16.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 71.4 p -129.8 147.43 51.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.123 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 22.3 ttt180 -167.21 172.14 10.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.7 ptmm? -147.31 124.82 5.84 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.592 0.71 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 149.57 66.82 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.679 2.253 . . . . 0.0 112.336 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.8 ptt-85 -53.81 115.72 8.62 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.6 0.714 . . . . 0.0 110.843 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -40.02 5.88 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.697 2.265 . . . . 0.0 112.323 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.6 t -132.08 120.69 44.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 98.0 p -121.59 169.01 11.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -133.54 132.99 41.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.1 m 53.68 41.96 31.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -98.88 146.19 18.03 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.482 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 156.69 62.59 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.653 2.235 . . . . 0.0 112.293 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 40.6 t -90.57 -61.56 1.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.8 p -90.4 -54.49 3.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.851 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.467 179.964 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.439 -0.264 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 t -61.25 128.92 38.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.915 0.388 . . . . 0.0 110.866 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.6 m -78.45 -50.46 11.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.839 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.29 -48.4 1.03 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 t -77.25 149.13 35.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 110.847 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m -102.08 126.48 49.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.833 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.97 102.13 0.21 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.491 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -79.9 -60.87 2.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.766 0.317 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -124.35 135.65 53.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.631 ' CA ' ' HB2' ' A' ' 23' ' ' ALA . . . -133.03 -46.16 0.11 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.528 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -55.1 151.61 8.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.878 0.37 . . . . 0.0 110.938 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 15.7 p-90 -134.35 120.12 19.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.47 125.68 24.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.443 ' HB3' ' CA ' ' A' ' 18' ' ' THR . 14.1 t -70.58 166.98 19.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.3 m -112.23 -34.19 5.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 87.8 t -77.73 -62.63 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.149 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.509 ' SG ' ' CG ' ' A' ' 30' ' ' MET . 18.8 p -104.77 6.83 34.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.471 HG22 ' O ' ' A' ' 17' ' ' CYS . 14.5 t 42.13 31.99 0.28 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.463 ' CB ' ' SG ' ' A' ' 17' ' ' CYS . 80.1 t80 -79.59 143.32 34.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -74.22 114.67 12.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.846 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 19' ' ' PHE . 20.1 m-80 -116.61 162.5 17.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.6 m -95.22 158.75 15.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.631 ' HB2' ' CA ' ' A' ' 10' ' ' GLY . . . -60.1 -47.43 85.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.079 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -46.53 -49.6 18.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.81 113.36 6.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.073 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.587 ' CZ ' ' HG2' ' A' ' 27' ' ' LYS . 2.8 p90 -66.45 -40.27 89.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.587 ' HG2' ' CZ ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -112.25 162.77 15.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 27.9 t -66.94 161.94 23.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 5.2 ttp -107.19 -31.33 8.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.509 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 1.8 tpt -73.63 -67.38 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.83 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.475 ' N ' ' HG3' ' A' ' 30' ' ' MET . 16.9 p -87.16 -25.21 24.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.834 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.0 t70 68.02 46.08 1.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.9 p -97.05 146.65 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -62.34 143.82 56.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.43 ' CD ' ' O ' ' A' ' 26' ' ' PHE . 2.1 ptmm? -104.97 148.75 26.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -175.37 70.23 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.6 p -94.54 -37.12 11.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.759 0.314 . . . . 0.0 111.102 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.0 t -99.85 141.7 32.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 28.6 m -53.18 -46.29 68.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.172 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -56.87 106.54 0.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -58.32 149.0 61.31 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.595 0.712 . . . . 0.0 110.871 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 105.63 1.52 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.681 2.254 . . . . 0.0 112.349 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -97.17 128.94 33.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.609 0.718 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 168.2 22.29 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.618 2.212 . . . . 0.0 112.356 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.0 p -136.38 131.47 48.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 55.9 m -75.18 -45.83 38.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -139.28 128.24 23.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 46.5 t -87.0 125.99 34.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 175.91 116.42 0.45 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 155.06 66.84 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.625 2.216 . . . . 0.0 112.35 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.5 t -68.5 -61.28 1.9 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 93.0 p -84.27 -44.75 13.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.125 -0.82 . . . . 0.0 112.522 -179.988 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.6 p -77.3 -44.45 29.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.897 0.379 . . . . 0.0 110.876 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.7 m -158.82 165.98 32.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.876 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.83 124.62 4.47 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.503 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.3 m -83.49 149.99 26.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.358 . . . . 0.0 110.873 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.0 t -73.29 -57.85 3.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.845 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.74 51.35 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.494 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -77.7 -60.37 2.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.802 0.334 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -114.96 148.24 39.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.638 ' O ' ' HB2' ' A' ' 23' ' ' ALA . . . -173.29 -71.81 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.462 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.6 p90 -58.32 147.76 29.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.862 0.363 . . . . 0.0 110.874 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.558 ' CE2' ' HG3' ' A' ' 35' ' ' LYS . 30.4 p-90 -120.28 129.91 54.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.99 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -74.62 114.26 12.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.825 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.1 t -52.12 168.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 95.9 p -108.26 -37.96 5.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.3 t -77.82 -63.02 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.131 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.477 ' SG ' ' CG ' ' A' ' 30' ' ' MET . 14.5 p -90.25 -13.56 35.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.0 p 54.4 36.47 25.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.465 ' CE2' ' O ' ' A' ' 20' ' ' ARG . 90.5 t80 -89.97 165.3 14.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.913 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.465 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 20.2 ttp-105 -87.25 119.05 27.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -127.01 131.7 50.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.3 t -65.18 151.36 46.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.808 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.638 ' HB2' ' O ' ' A' ' 10' ' ' GLY . . . -58.13 -45.07 87.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.116 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -53.96 -37.92 64.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.71 110.4 1.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.089 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.571 ' CE2' ' HG2' ' A' ' 27' ' ' LYS . 5.5 p90 -57.84 -37.97 74.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.571 ' HG2' ' CE2' ' A' ' 26' ' ' PHE . 10.8 pttm -127.83 170.33 12.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.7 t -66.95 161.27 24.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -108.65 -21.77 12.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.482 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 9.2 tpp -82.27 -64.53 1.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.482 ' N ' ' HG3' ' A' ' 30' ' ' MET . 31.1 p -93.26 -13.56 28.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 62.93 35.57 13.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.479 HG12 ' SG ' ' A' ' 31' ' ' CYS . 9.9 p -88.03 141.38 14.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.3 tpp180 -52.16 146.93 8.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.558 ' HG3' ' CE2' ' A' ' 12' ' ' TRP . 3.1 tmtt? -109.78 131.37 55.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 35' ' ' LYS . . . -34.89 -49.82 0.78 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.504 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 27.7 m -61.82 144.13 55.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.764 0.316 . . . . 0.0 111.118 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.8 m -85.37 173.01 10.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.8 t -92.59 156.73 16.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.131 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 40.0 ttm-85 -64.59 143.1 58.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.427 ' HD2' ' N ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -53.69 142.29 43.24 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.578 0.704 . . . . 0.0 110.908 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 -171.84 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.65 2.233 . . . . 0.0 112.339 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.1 mtm180 -103.31 103.47 35.26 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.599 0.714 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 104.35 1.31 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.698 2.265 . . . . 0.0 112.297 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.5 t -58.16 -58.66 5.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 78.0 p -106.96 113.47 26.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -114.56 137.17 52.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 69.7 m -48.64 -52.6 22.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.22 169.8 10.03 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.504 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -50.44 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.657 2.238 . . . . 0.0 112.312 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.8 t -123.61 164.24 19.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.94 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.4 t -104.13 143.59 32.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.48 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.1 p90 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.862 0.363 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 10.7 p-90 -110.63 129.77 55.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -81.14 114.44 19.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.895 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 46.5 t -56.93 164.41 1.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.0 p -114.91 -33.27 5.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.74 HG21 HG21 ' A' ' 33' ' ' VAL . 83.4 t -65.2 -56.27 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.48 ' SG ' ' CG ' ' A' ' 30' ' ' MET . 31.7 p -106.75 -1.33 22.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.3 p 55.07 32.27 17.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.15 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.409 ' CG ' ' N ' ' A' ' 20' ' ' ARG . 47.4 t80 -90.52 160.45 15.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.409 ' N ' ' CG ' ' A' ' 19' ' ' PHE . 23.9 ttm105 -89.82 120.86 31.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -120.99 148.54 43.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -87.53 154.77 20.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.17 -49.59 76.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.11 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -48.08 -38.5 17.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.06 117.01 7.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.119 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -57.66 -45.88 84.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -129.86 175.79 8.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.4 t -59.32 161.45 5.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.81 -32.23 6.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.883 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.483 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 0.4 OUTLIER -71.56 -64.83 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.58 ' SG ' HG12 ' A' ' 33' ' ' VAL . 21.2 p -91.9 -19.96 21.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 67.96 33.69 4.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.74 HG21 HG21 ' A' ' 16' ' ' VAL . 8.6 p -89.58 129.16 40.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.11 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.845 0.355 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 17.9 p-90 -116.46 129.69 56.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -74.94 137.62 41.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.8 t -84.68 163.51 19.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.3 m -113.4 -35.35 5.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.516 HG21 HG21 ' A' ' 33' ' ' VAL . 93.8 t -68.68 -64.63 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.163 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.502 ' SG ' ' CG ' ' A' ' 30' ' ' MET . 20.8 p -102.99 -3.48 25.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.898 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.5 p 53.96 32.0 14.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.154 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.411 ' CB ' ' SG ' ' A' ' 17' ' ' CYS . 52.2 t80 -87.32 143.41 27.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -80.2 120.37 24.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -122.72 152.52 40.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.0 t -69.71 154.64 41.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.74 -49.96 75.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.06 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -44.53 -46.24 9.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.26 110.92 3.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.06 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 28.9 p90 -65.62 -39.61 91.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.466 ' CD ' ' O ' ' A' ' 28' ' ' CYS . 0.3 OUTLIER -110.73 155.79 21.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.466 ' O ' ' CD ' ' A' ' 27' ' ' LYS . 8.9 t -56.62 163.97 1.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 71.1 mmm -109.08 -31.52 7.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.502 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -75.62 -64.02 1.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.48 ' N ' ' HG3' ' A' ' 30' ' ' MET . 17.3 p -90.12 -20.65 22.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 62.85 45.36 5.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.516 HG21 HG21 ' A' ' 16' ' ' VAL . 4.3 p -101.41 145.22 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.171 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.412 ' HD3' HG22 ' A' ' 33' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.0 p90 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.904 0.383 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 50.8 p-90 -99.22 133.91 42.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -83.93 159.67 21.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.818 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 15' ' ' SER . 33.3 t -102.23 162.22 13.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.438 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 3.3 m -112.45 -31.73 6.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.9 t -68.33 -65.35 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.507 ' SG ' ' CG ' ' A' ' 30' ' ' MET . 28.5 p -104.45 -2.17 25.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.3 p 55.82 32.93 20.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -87.74 139.63 30.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -74.86 121.81 22.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -121.8 146.02 47.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.873 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.0 t -73.05 148.31 44.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.844 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.4 -51.44 35.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -46.01 -46.76 16.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.76 113.02 1.84 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.107 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.451 ' CE1' ' HG2' ' A' ' 27' ' ' LYS . 8.8 p90 -64.72 -36.22 83.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.451 ' HG2' ' CE1' ' A' ' 26' ' ' PHE . 7.8 ptpt -124.74 162.79 23.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.3 t -52.54 167.0 0.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.65 -35.24 6.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.507 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 1.3 tpt -75.55 -63.96 1.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.477 ' N ' ' HG3' ' A' ' 30' ' ' MET . 16.7 p -88.11 -22.74 23.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 67.2 43.45 2.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.462 HG12 ' SG ' ' A' ' 31' ' ' CYS . 6.4 p -99.65 130.07 49.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.151 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.979 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.1 p90 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.828 0.347 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 37.6 p-90 -108.71 130.13 55.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -79.79 141.67 36.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.42 ' SG ' ' N ' ' A' ' 15' ' ' SER . 36.5 t -87.31 161.49 17.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.42 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 59.5 m -116.04 -33.05 5.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.688 HG21 HG21 ' A' ' 33' ' ' VAL . 94.1 t -63.51 -62.46 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.148 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.495 ' SG ' ' CG ' ' A' ' 30' ' ' MET . 27.0 p -107.93 5.81 26.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.3 p 52.58 32.21 11.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.595 ' CE2' ' O ' ' A' ' 20' ' ' ARG . 71.8 t80 -90.29 142.32 27.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.595 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 17.7 ttp-105 -83.72 135.86 34.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -138.83 167.06 22.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.8 m -95.03 161.04 14.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.22 -54.74 42.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.113 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 2.7 pt-20 -43.97 -34.25 1.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.407 ' N ' ' HG3' ' A' ' 24' ' ' GLU . . . -64.09 116.84 6.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.417 ' C ' ' HG3' ' A' ' 27' ' ' LYS . 5.2 p90 -54.65 -44.17 73.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.417 ' HG3' ' C ' ' A' ' 26' ' ' PHE . 26.8 mtpt -144.09 175.46 10.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.3 t -52.51 164.11 0.37 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.66 -34.4 6.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.495 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 2.8 tpt -72.99 -64.32 0.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.474 ' N ' ' HG3' ' A' ' 30' ' ' MET . 19.5 p -91.23 -21.1 21.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 64.77 43.32 4.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.688 HG21 HG21 ' A' ' 16' ' ' VAL . 7.5 p -94.4 137.26 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.134 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.8 p90 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.856 0.36 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 22.5 p-90 -125.6 140.36 52.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -81.07 140.47 35.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.6 t -87.28 163.08 17.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.2 m -111.09 -32.73 6.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.817 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 90.2 t -72.56 -65.08 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.15 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.2 p -103.6 -5.0 23.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.2 p 55.53 31.97 18.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.171 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -82.96 142.27 31.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -76.95 109.27 10.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -108.58 154.41 22.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.4 m -83.75 138.4 33.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 24' ' ' GLU . . . -39.6 -61.51 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 23' ' ' ALA . 17.0 tt0 -36.9 -49.6 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.7 110.46 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -54.8 -46.79 74.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.6 pttm -119.5 177.71 4.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.9 t -61.46 166.12 4.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.5 ttm -109.11 -33.5 6.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.479 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -76.43 -66.96 0.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.818 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.479 ' N ' ' HG3' ' A' ' 30' ' ' MET . 20.0 p -89.31 -21.02 23.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.867 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 65.18 48.0 2.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.5 p -93.55 150.37 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.155 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.882 0.372 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.437 ' CD1' ' O ' ' A' ' 22' ' ' SER . 7.2 p-90 -118.21 126.86 53.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.928 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.14 121.25 24.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.821 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 7.5 t -66.44 168.59 8.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.85 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.3 m -117.06 -33.7 4.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 86.6 t -71.19 -53.6 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.13 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.422 ' SG ' ' HB3' ' A' ' 19' ' ' PHE . 24.4 p -108.23 -5.36 16.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 45.1 p 52.16 36.98 20.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.581 ' CE2' ' HG3' ' A' ' 29' ' ' MET . 71.6 t80 -91.75 151.68 20.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.428 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 63.1 ttp85 -82.59 119.04 23.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -122.87 138.6 54.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.437 ' O ' ' CD1' ' A' ' 12' ' ' TRP . 89.2 p -59.49 178.16 0.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.35 -45.09 15.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -57.0 -39.87 75.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.7 112.93 1.02 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.096 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -63.87 -43.12 97.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.8 pttm -124.27 170.66 10.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.2 t -63.33 158.12 21.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.581 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 2.2 ppp? -106.25 -32.34 8.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.457 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 2.8 tpt -76.4 -66.25 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.545 ' SG ' HG12 ' A' ' 33' ' ' VAL . 12.6 p -86.82 -26.68 23.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 67.88 45.38 1.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.545 HG12 ' SG ' ' A' ' 31' ' ' CYS . 9.2 p -101.36 132.02 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 22.3 p90 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.845 0.355 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 20.3 p-90 -114.55 131.2 56.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -82.54 135.65 35.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.9 t -78.51 162.06 26.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.3 t -114.98 -33.88 5.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.597 HG21 HG21 ' A' ' 33' ' ' VAL . 83.1 t -63.98 -63.74 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.13 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.447 ' SG ' ' CB ' ' A' ' 19' ' ' PHE . 22.3 p -104.04 3.36 33.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.5 p 52.36 32.4 11.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.184 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.447 ' CB ' ' SG ' ' A' ' 17' ' ' CYS . 81.6 t80 -89.86 147.77 23.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 66.7 ttp85 -88.58 123.33 32.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -118.41 164.06 15.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.1 m -83.34 155.6 23.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.64 -51.26 69.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.102 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -49.87 -42.61 48.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.86 111.03 2.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.567 ' CE1' ' HG2' ' A' ' 27' ' ' LYS . 3.8 p90 -64.09 -44.97 90.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.858 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.567 ' HG2' ' CE1' ' A' ' 26' ' ' PHE . 39.6 pttt -111.8 164.65 12.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.954 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.1 t -58.12 165.61 1.86 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 16.1 tpt -108.46 -32.38 7.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.487 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 8.5 tpp -75.76 -65.36 0.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.487 ' N ' ' HG3' ' A' ' 30' ' ' MET . 21.8 p -89.45 -20.6 23.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 64.28 47.96 3.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.597 HG21 HG21 ' A' ' 16' ' ' VAL . 9.8 p -95.03 154.51 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.5 ptt-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.1 p90 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.85 0.357 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 52.8 p-90 -127.69 128.12 44.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -79.64 128.15 33.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 15' ' ' SER . 27.4 t -72.55 161.89 30.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.438 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 7.3 t -114.8 -31.85 5.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.474 HG21 HG11 ' A' ' 33' ' ' VAL . 86.9 t -63.46 -61.55 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.124 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 30.6 p -109.35 4.56 22.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.1 p 54.8 32.15 17.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.434 ' CE2' ' O ' ' A' ' 20' ' ' ARG . 86.7 t80 -89.08 145.39 25.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.434 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 19.8 ttm105 -83.24 125.9 32.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -124.27 170.08 11.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.3 m -100.1 150.14 22.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.58 -46.6 39.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -47.68 -58.9 3.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.97 117.7 3.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 1.6 t80 -68.1 -40.68 82.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.802 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -116.5 177.65 4.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.0 t -72.7 160.59 31.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.1 mmt -105.45 -27.41 11.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.476 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 0.9 OUTLIER -84.62 -61.88 1.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.476 ' N ' ' HG3' ' A' ' 30' ' ' MET . 14.3 p -85.83 -15.42 41.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 53.27 42.44 32.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.474 HG11 HG21 ' A' ' 16' ' ' VAL . 98.6 t -113.03 145.41 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.7 ptt180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.7 p90 . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.852 0.358 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 59.2 p-90 -110.7 132.34 54.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.927 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -77.42 155.45 31.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.784 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 51.9 t -95.1 163.71 13.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.2 m -110.08 -31.29 7.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.444 HG21 HG21 ' A' ' 33' ' ' VAL . 98.2 t -75.44 -63.33 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.106 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.1 p -105.91 0.64 26.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.8 p 49.01 31.99 3.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.409 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 83.7 t80 -82.84 142.85 31.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -73.18 127.68 33.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.409 ' ND2' ' O ' ' A' ' 19' ' ' PHE . 13.5 m-80 -129.2 154.77 46.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.2 m -79.06 144.73 34.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.97 -55.26 12.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -41.38 -47.39 3.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.79 125.88 24.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.561 ' CE2' ' HG2' ' A' ' 27' ' ' LYS . 6.5 p90 -75.73 -41.02 54.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.561 ' HG2' ' CE2' ' A' ' 26' ' ' PHE . 35.2 pttt -119.62 165.7 14.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.945 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.7 t -56.95 164.85 1.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 5.6 mtt -108.57 -35.4 6.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.484 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 10.5 tpp -75.62 -65.57 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.504 ' SG ' HG12 ' A' ' 33' ' ' VAL . 14.0 p -86.18 -21.93 27.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 61.91 46.79 6.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.504 HG12 ' SG ' ' A' ' 31' ' ' CYS . 10.0 p -99.47 143.94 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 54.3 ttt180 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 44.4 p90 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.833 0.349 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 26.2 p-90 -122.37 137.85 54.72 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -82.94 123.12 29.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 40.5 t -71.15 162.12 29.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.0 p -114.85 -30.42 6.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.63 HG21 HG11 ' A' ' 33' ' ' VAL . 82.8 t -67.87 -59.93 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.701 ' O ' HG22 ' A' ' 18' ' ' THR . 31.6 p -111.38 8.08 21.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.701 HG22 ' O ' ' A' ' 17' ' ' CYS . 12.0 t 48.08 32.06 2.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -87.7 152.18 22.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 46.6 ttp180 -87.23 125.54 34.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -122.48 177.97 5.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 88.2 p -99.01 141.83 31.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.67 -43.87 18.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.066 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -55.77 -53.77 52.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.863 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.59 118.52 3.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.134 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -77.63 -28.02 51.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.42 ' C ' ' HD3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -121.79 166.06 14.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -74.05 158.55 34.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.876 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 79.9 mmm -104.93 -26.81 12.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.469 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 0.9 OUTLIER -84.72 -62.78 1.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.469 ' N ' ' HG3' ' A' ' 30' ' ' MET . 14.3 p -84.89 -20.07 31.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 t70 57.52 43.71 22.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.63 HG11 HG21 ' A' ' 16' ' ' VAL . 77.7 t -113.16 135.68 51.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.404 ' HB2' ' O ' ' A' ' 21' ' ' ASN . 27.2 p90 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.872 0.368 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.535 ' CE2' ' HB2' ' A' ' 21' ' ' ASN . 29.9 p-90 -130.04 124.29 32.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.931 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.08 120.78 25.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.9 t -58.68 164.35 2.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.7 t -113.33 -33.57 5.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.825 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 92.2 t -67.45 -61.96 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.095 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.726 ' O ' HG22 ' A' ' 18' ' ' THR . 31.5 p -100.82 4.38 42.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.726 HG22 ' O ' ' A' ' 17' ' ' CYS . 11.9 t 48.73 32.13 3.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.47 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 94.2 t80 -92.52 128.12 38.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.846 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -58.99 119.23 6.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.535 ' HB2' ' CE2' ' A' ' 12' ' ' TRP . 1.7 m120 -107.95 163.73 12.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 74.3 p -107.04 136.61 46.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.58 -43.38 8.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.087 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -54.41 -46.6 73.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.33 104.37 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.118 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -43.98 -47.28 8.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -123.49 177.25 5.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.7 t -59.41 165.46 2.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.73 -29.82 6.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.511 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 0.7 OUTLIER -75.67 -63.39 1.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.481 ' N ' ' HG3' ' A' ' 30' ' ' MET . 31.3 p -90.79 -16.54 28.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 63.88 36.29 10.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.8 p -93.98 145.9 7.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.999 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 14.1 p90 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.882 0.372 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 13.0 p-90 -108.93 131.59 54.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.3 128.77 34.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.423 ' SG ' ' N ' ' A' ' 15' ' ' SER . 37.0 t -71.38 162.04 30.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.423 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 3.5 t -113.89 -30.43 6.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.647 HG21 HG21 ' A' ' 33' ' ' VAL . 93.8 t -65.82 -61.2 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.123 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.9 p -105.94 2.63 27.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.1 p 54.95 31.95 17.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.432 ' CE1' ' O ' ' A' ' 20' ' ' ARG . 58.1 t80 -93.04 139.28 30.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.432 ' O ' ' CE1' ' A' ' 19' ' ' PHE . 2.8 tmm_? -81.49 130.52 35.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.406 ' OD1' ' N ' ' A' ' 29' ' ' MET . 3.7 m-80 -123.8 177.72 5.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.3 p -99.2 159.62 14.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.3 -40.29 95.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.119 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -54.99 -44.31 74.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.88 128.09 34.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.139 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.431 ' CE2' ' HG2' ' A' ' 27' ' ' LYS . 3.1 p90 -77.03 -36.42 56.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.431 ' HG2' ' CE2' ' A' ' 26' ' ' PHE . 5.3 pttm -120.84 173.02 7.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.935 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.2 t -64.32 167.1 7.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.406 ' N ' ' OD1' ' A' ' 21' ' ' ASN . 20.0 ttt -107.58 -34.26 7.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.483 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 3.1 tpt -78.22 -66.46 0.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.503 ' C ' ' CG ' ' A' ' 32' ' ' ASP . 17.2 p -90.08 -12.25 38.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.503 ' CG ' ' C ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER 51.61 41.84 29.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.834 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.647 HG21 HG21 ' A' ' 16' ' ' VAL . 9.7 p -91.16 132.58 35.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 17.5 ttm105 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 179.997 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 35.7 p90 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.917 0.389 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 6.2 p-90 -131.9 129.91 40.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -82.85 113.55 20.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.854 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 48.7 t -56.85 162.74 2.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.8 t -112.59 -30.76 7.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.508 HG21 HG21 ' A' ' 33' ' ' VAL . 99.2 t -68.94 -62.92 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.123 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.703 ' O ' HG22 ' A' ' 18' ' ' THR . 31.8 p -103.89 6.82 36.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.703 HG22 ' O ' ' A' ' 17' ' ' CYS . 9.5 t 47.91 32.06 2.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -87.29 139.65 30.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.5 ttm180 -82.02 113.87 20.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -110.82 178.68 4.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.4 m -103.69 157.33 17.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.04 -43.2 99.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -52.78 -47.67 67.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.852 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.8 122.65 12.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -68.61 -41.91 78.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.2 171.71 10.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.7 t -62.3 160.55 12.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -108.82 -28.95 8.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.475 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 2.1 tpt -78.9 -66.79 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.475 ' N ' ' HG3' ' A' ' 30' ' ' MET . 15.8 p -88.81 -23.3 22.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 67.68 46.37 1.33 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.508 HG21 HG21 ' A' ' 16' ' ' VAL . 7.2 p -95.9 134.42 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.135 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.405 ' NH1' ' HB2' ' A' ' 34' ' ' ARG . 7.2 ttm105 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 8.4 p90 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.876 0.369 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 15.2 p-90 -109.31 136.63 48.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -82.54 139.94 33.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.84 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 53.3 t -88.76 162.54 16.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.3 t -115.89 -33.79 4.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.533 HG21 HG21 ' A' ' 33' ' ' VAL . 96.4 t -63.88 -61.69 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.14 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.406 ' SG ' ' CB ' ' A' ' 19' ' ' PHE . 29.7 p -107.51 4.08 25.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.0 p 52.23 32.03 10.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.199 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.406 ' CB ' ' SG ' ' A' ' 17' ' ' CYS . 84.3 t80 -89.17 161.44 16.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.1 ttp180 -101.92 121.68 42.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -119.09 157.28 28.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 57.3 m -84.5 141.29 30.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.67 -47.75 7.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.077 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -40.89 -55.55 2.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.58 127.73 32.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.054 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.507 ' CE2' ' HD2' ' A' ' 27' ' ' LYS . 7.6 p90 -77.22 -30.79 54.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.507 ' HD2' ' CE2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -120.58 160.93 22.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.1 t -57.83 164.16 2.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.8 tpp -107.32 -32.25 7.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.482 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 8.4 tpp -77.09 -66.49 0.82 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.482 ' N ' ' HG3' ' A' ' 30' ' ' MET . 18.0 p -88.01 -22.82 24.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.7 t70 66.92 48.0 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.533 HG21 HG21 ' A' ' 16' ' ' VAL . 7.8 p -93.03 152.77 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.167 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.8 p90 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.859 0.362 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 22.3 p-90 -118.22 126.46 52.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.95 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.88 131.24 39.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.9 t -79.84 163.13 24.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.9 t -113.52 -31.42 6.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.539 HG21 HG21 ' A' ' 33' ' ' VAL . 89.6 t -69.99 -63.47 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.539 ' O ' HG22 ' A' ' 18' ' ' THR . 30.0 p -103.64 9.41 37.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.539 HG22 ' O ' ' A' ' 17' ' ' CYS . 15.1 t 44.28 31.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.548 ' CE2' ' O ' ' A' ' 20' ' ' ARG . 62.9 t80 -83.77 169.86 14.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.548 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 1.5 tpp85 -107.41 134.44 50.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -135.4 173.05 12.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.502 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 18.6 m -110.8 150.89 28.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.804 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.78 -59.39 2.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.087 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.446 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 7.7 pt-20 -42.28 -38.12 1.71 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 22' ' ' SER . . . -59.26 114.05 2.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.075 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -58.59 -45.34 89.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -141.03 170.01 16.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.96 161.78 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.3 ttm -114.45 -30.18 6.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.498 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 3.1 tpt -74.63 -63.42 1.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.471 ' N ' ' HG3' ' A' ' 30' ' ' MET . 21.8 p -92.15 -16.45 26.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 62.91 41.68 8.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.539 HG21 HG21 ' A' ' 16' ' ' VAL . 4.4 p -98.94 133.38 41.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.077 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.2 ttp180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.854 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 19.3 p90 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.845 0.355 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 26.6 p-90 -133.57 139.03 46.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -87.88 142.19 28.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.859 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 15' ' ' SER . 37.6 t -86.72 161.99 18.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.426 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 52.7 p -112.38 -34.38 5.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 73.6 t -67.15 -66.7 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.148 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.693 ' O ' HG22 ' A' ' 18' ' ' THR . 23.3 p -103.87 5.93 36.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.693 HG22 ' O ' ' A' ' 17' ' ' CYS . 12.3 t 47.91 32.05 2.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.198 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.443 ' CB ' ' SG ' ' A' ' 17' ' ' CYS . 55.2 t80 -89.04 124.85 34.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 44.7 ttp180 -71.88 127.6 33.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 19' ' ' PHE . 1.8 m-80 -120.76 167.75 12.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.0 m -89.55 144.2 26.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.93 -46.43 21.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.106 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -50.44 -31.18 14.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.61 113.75 15.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.078 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -58.54 -47.93 82.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.93 170.97 8.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.2 169.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.61 -32.51 6.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.474 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 2.1 tpp -79.37 -63.83 1.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.474 ' N ' ' HG3' ' A' ' 30' ' ' MET . 17.3 p -90.56 -18.31 25.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 t70 62.73 47.93 4.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.5 p -95.69 143.97 11.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.9 mmt-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.986 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 11.2 p90 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.895 0.378 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 41.3 p-90 -115.96 135.33 54.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.936 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -82.92 113.97 20.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.846 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 15' ' ' SER . 30.2 t -59.29 161.7 5.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.433 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 21.3 t -114.91 -32.99 5.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.469 HG21 HG11 ' A' ' 33' ' ' VAL . 98.8 t -62.47 -61.68 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.118 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 31.4 p -109.75 5.02 22.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.6 p 53.14 33.4 15.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.169 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.413 ' CE2' ' O ' ' A' ' 20' ' ' ARG . 53.7 t80 -88.08 141.31 28.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.413 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 27.4 ttm180 -80.87 114.4 19.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -108.45 178.05 4.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 90.6 p -107.06 145.66 32.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.35 -45.99 36.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.105 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.43 ' H ' ' CD ' ' A' ' 24' ' ' GLU . 12.5 mp0 -51.1 -44.22 61.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.51 122.16 19.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.062 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -73.33 -43.83 60.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.45 176.89 5.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.2 t -76.34 163.01 27.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.5 ttt -106.37 -31.55 8.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.474 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 1.0 OUTLIER -81.67 -62.55 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.474 ' N ' ' HG3' ' A' ' 30' ' ' MET . 14.0 p -85.4 -17.53 36.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.1 t0 53.23 43.9 30.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.826 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.469 HG11 HG21 ' A' ' 16' ' ' VAL . 85.3 t -111.26 143.74 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 34.7 p90 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.848 0.356 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 18.4 p-90 -105.78 127.73 53.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -80.6 112.2 17.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 47.7 t -55.47 163.31 1.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.6 p -114.25 -32.63 5.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 74.1 t -67.94 -62.6 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.114 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.694 ' O ' HG22 ' A' ' 18' ' ' THR . 29.5 p -105.25 6.68 33.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.694 HG22 ' O ' ' A' ' 17' ' ' CYS . 9.3 t 48.01 31.94 2.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.406 ' CB ' ' SG ' ' A' ' 17' ' ' CYS . 89.6 t80 -85.95 140.04 30.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -83.85 122.66 29.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -120.75 165.97 14.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 59.6 p -85.45 152.14 23.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.3 -43.66 75.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -53.79 -42.29 68.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.59 121.33 13.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.149 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.26 -43.94 39.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.08 152.75 31.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -52.74 161.43 0.74 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 19.3 ttt -109.34 -29.59 8.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.496 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 11.9 tpp -77.54 -67.57 0.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.605 ' SG ' HG12 ' A' ' 33' ' ' VAL . 13.9 p -85.43 -21.45 28.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 36.0 t0 63.83 45.9 4.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.605 HG12 ' SG ' ' A' ' 31' ' ' CYS . 8.5 p -99.16 142.53 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.9 p90 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.878 0.37 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 15.7 p-90 -134.35 120.12 19.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.47 125.68 24.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.443 ' HB3' ' CA ' ' A' ' 18' ' ' THR . 14.1 t -70.58 166.98 19.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.3 m -112.23 -34.19 5.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 87.8 t -77.73 -62.63 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.149 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.509 ' SG ' ' CG ' ' A' ' 30' ' ' MET . 18.8 p -104.77 6.83 34.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.471 HG22 ' O ' ' A' ' 17' ' ' CYS . 14.5 t 42.13 31.99 0.28 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.463 ' CB ' ' SG ' ' A' ' 17' ' ' CYS . 80.1 t80 -79.59 143.32 34.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -74.22 114.67 12.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.846 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 19' ' ' PHE . 20.1 m-80 -116.61 162.5 17.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.6 m -95.22 158.75 15.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.1 -47.43 85.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.079 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -46.53 -49.6 18.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.81 113.36 6.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.073 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.587 ' CZ ' ' HG2' ' A' ' 27' ' ' LYS . 2.8 p90 -66.45 -40.27 89.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.587 ' HG2' ' CZ ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -112.25 162.77 15.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 27.9 t -66.94 161.94 23.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 5.2 ttp -107.19 -31.33 8.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.509 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 1.8 tpt -73.63 -67.38 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.83 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.475 ' N ' ' HG3' ' A' ' 30' ' ' MET . 16.9 p -87.16 -25.21 24.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.834 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.0 t70 68.02 46.08 1.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.9 p -97.05 146.65 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.976 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.6 p90 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.862 0.363 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 30.4 p-90 -120.28 129.91 54.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.99 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -74.62 114.26 12.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.825 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.1 t -52.12 168.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 95.9 p -108.26 -37.96 5.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.3 t -77.82 -63.02 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.131 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.477 ' SG ' ' CG ' ' A' ' 30' ' ' MET . 14.5 p -90.25 -13.56 35.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.0 p 54.4 36.47 25.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.465 ' CE2' ' O ' ' A' ' 20' ' ' ARG . 90.5 t80 -89.97 165.3 14.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.913 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.465 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 20.2 ttp-105 -87.25 119.05 27.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -127.01 131.7 50.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.3 t -65.18 151.36 46.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.808 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.13 -45.07 87.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.116 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -53.96 -37.92 64.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.71 110.4 1.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.089 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.571 ' CE2' ' HG2' ' A' ' 27' ' ' LYS . 5.5 p90 -57.84 -37.97 74.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.571 ' HG2' ' CE2' ' A' ' 26' ' ' PHE . 10.8 pttm -127.83 170.33 12.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.7 t -66.95 161.27 24.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -108.65 -21.77 12.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.482 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 9.2 tpp -82.27 -64.53 1.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.482 ' N ' ' HG3' ' A' ' 30' ' ' MET . 31.1 p -93.26 -13.56 28.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 62.93 35.57 13.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.479 HG12 ' SG ' ' A' ' 31' ' ' CYS . 9.9 p -88.03 141.38 14.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.3 tpp180 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.97 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.2 m -122.93 149.84 43.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.855 0.36 . . . . 0.0 110.88 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -132.74 114.25 13.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.832 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.19 83.46 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.442 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.5 m -65.77 110.63 2.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.87 0.367 . . . . 0.0 110.86 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.4 t -73.51 -50.21 22.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.0 -96.06 1.01 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.453 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.54 125.87 31.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.753 0.311 . . . . 0.0 110.853 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -79.99 161.85 25.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 145.74 45.89 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.485 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -64.48 138.04 58.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.862 0.363 . . . . 0.0 110.962 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.528 ' CD2' ' HD2' ' A' ' 35' ' ' LYS . 10.7 p-90 -110.63 129.77 55.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -81.14 114.44 19.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.895 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 46.5 t -56.93 164.41 1.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.0 p -114.91 -33.27 5.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.74 HG21 HG21 ' A' ' 33' ' ' VAL . 83.4 t -65.2 -56.27 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.48 ' SG ' ' CG ' ' A' ' 30' ' ' MET . 31.7 p -106.75 -1.33 22.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.3 p 55.07 32.27 17.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.15 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.409 ' CG ' ' N ' ' A' ' 20' ' ' ARG . 47.4 t80 -90.52 160.45 15.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.409 ' N ' ' CG ' ' A' ' 19' ' ' PHE . 23.9 ttm105 -89.82 120.86 31.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -120.99 148.54 43.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -87.53 154.77 20.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.17 -49.59 76.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.11 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -48.08 -38.5 17.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.06 117.01 7.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.119 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -57.66 -45.88 84.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -129.86 175.79 8.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.4 t -59.32 161.45 5.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.81 -32.23 6.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.883 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.483 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 0.4 OUTLIER -71.56 -64.83 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.58 ' SG ' HG12 ' A' ' 33' ' ' VAL . 21.2 p -91.9 -19.96 21.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 67.96 33.69 4.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.74 HG21 HG21 ' A' ' 16' ' ' VAL . 8.6 p -89.58 129.16 40.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.11 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.488 ' HD3' ' N ' ' A' ' 36' ' ' GLY . 0.0 OUTLIER -55.9 140.68 41.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.528 ' HD2' ' CD2' ' A' ' 12' ' ' TRP . 2.9 ptmm? -111.69 -37.99 5.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.488 ' N ' ' HD3' ' A' ' 34' ' ' ARG . . . -53.26 95.0 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 54.6 p -44.28 -55.54 4.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.804 0.335 . . . . 0.0 111.185 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.1 m 56.4 42.96 26.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.8 m -84.84 144.51 28.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.168 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -99.36 123.87 44.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.866 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -61.36 149.22 83.9 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.583 0.706 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 5.65 1.61 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.665 2.243 . . . . 0.0 112.382 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -52.17 152.24 6.08 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.635 0.731 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 158.43 57.03 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.706 2.27 . . . . 0.0 112.344 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.0 p -146.86 137.26 17.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 86.7 p -136.42 166.07 24.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.7 tm0? -61.43 127.04 29.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 92.9 p -71.82 109.15 5.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -115.27 -157.5 11.48 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.482 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 115.32 4.03 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.69 2.26 . . . . 0.0 112.347 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.4 t -56.86 -44.75 82.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.841 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 88.7 p -92.15 133.53 35.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.105 -0.831 . . . . 0.0 112.511 179.99 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.7 m -85.84 170.21 12.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.879 0.371 . . . . 0.0 110.894 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.4 p -104.73 143.94 32.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.77 -67.34 1.35 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.488 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -77.32 164.68 25.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.863 0.363 . . . . 0.0 110.846 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.7 p -117.52 149.07 41.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.83 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.16 172.31 43.38 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.499 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -62.59 -54.66 36.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.797 0.332 . . . . 0.0 110.853 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -151.01 126.2 9.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -157.74 40.89 0.53 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -160.35 154.78 23.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.845 0.355 . . . . 0.0 110.949 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 17.9 p-90 -116.46 129.69 56.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -74.94 137.62 41.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.8 t -84.68 163.51 19.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.3 m -113.4 -35.35 5.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.516 HG21 HG21 ' A' ' 33' ' ' VAL . 93.8 t -68.68 -64.63 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.163 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.502 ' SG ' ' CG ' ' A' ' 30' ' ' MET . 20.8 p -102.99 -3.48 25.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.898 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.5 p 53.96 32.0 14.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.154 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.411 ' CB ' ' SG ' ' A' ' 17' ' ' CYS . 52.2 t80 -87.32 143.41 27.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -80.2 120.37 24.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -122.72 152.52 40.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.0 t -69.71 154.64 41.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.74 -49.96 75.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.06 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -44.53 -46.24 9.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.26 110.92 3.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.06 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 28.9 p90 -65.62 -39.61 91.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.466 ' CD ' ' O ' ' A' ' 28' ' ' CYS . 0.3 OUTLIER -110.73 155.79 21.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.466 ' O ' ' CD ' ' A' ' 27' ' ' LYS . 8.9 t -56.62 163.97 1.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 71.1 mmm -109.08 -31.52 7.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.502 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -75.62 -64.02 1.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.48 ' N ' ' HG3' ' A' ' 30' ' ' MET . 17.3 p -90.12 -20.65 22.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 62.85 45.36 5.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.516 HG21 HG21 ' A' ' 16' ' ' VAL . 4.3 p -101.41 145.22 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.171 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.412 ' HD3' HG22 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -61.51 143.5 55.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.5 pttm -112.72 169.97 8.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.9 153.86 0.29 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 73.2 p -94.86 118.31 31.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.708 0.29 . . . . 0.0 111.164 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.7 t 58.81 42.19 20.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.3 t -44.97 -34.88 2.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.173 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -88.71 145.59 25.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.3 mttp -106.22 114.36 62.46 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.605 0.716 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 171.42 14.54 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.688 2.259 . . . . 0.0 112.37 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.19 152.15 6.95 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.627 0.727 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 6.39 1.32 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.682 2.254 . . . . 0.0 112.403 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.7 t -115.46 104.96 17.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.147 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.3 m -82.21 153.92 25.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.84 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -125.87 114.22 18.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.0 m -61.53 113.24 2.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.889 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.92 137.05 1.02 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.534 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -33.88 16.0 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.717 2.278 . . . . 0.0 112.35 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.0 m -120.96 137.89 54.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.5 t -138.95 165.75 26.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.843 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.439 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.4 p -101.36 130.36 47.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.932 0.396 . . . . 0.0 110.809 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.8 m -51.99 -61.93 1.95 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.9 154.96 51.55 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.443 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.3 p -82.27 127.01 32.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.914 0.387 . . . . 0.0 110.848 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 t -147.88 106.24 3.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.23 39.04 0.39 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.67 -55.45 3.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.761 0.315 . . . . 0.0 110.8 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -45.69 -42.8 12.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.8 80.67 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.485 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.0 p90 -150.9 135.93 17.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.904 0.383 . . . . 0.0 110.892 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.53 ' CD2' ' HD3' ' A' ' 35' ' ' LYS . 50.8 p-90 -99.22 133.91 42.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -83.93 159.67 21.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.818 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 15' ' ' SER . 33.3 t -102.23 162.22 13.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.438 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 3.3 m -112.45 -31.73 6.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.9 t -68.33 -65.35 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.507 ' SG ' ' CG ' ' A' ' 30' ' ' MET . 28.5 p -104.45 -2.17 25.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.3 p 55.82 32.93 20.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -87.74 139.63 30.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -74.86 121.81 22.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -121.8 146.02 47.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.873 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.0 t -73.05 148.31 44.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.844 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.4 -51.44 35.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -46.01 -46.76 16.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.76 113.02 1.84 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.107 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.451 ' CE1' ' HG2' ' A' ' 27' ' ' LYS . 8.8 p90 -64.72 -36.22 83.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.451 ' HG2' ' CE1' ' A' ' 26' ' ' PHE . 7.8 ptpt -124.74 162.79 23.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.3 t -52.54 167.0 0.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.65 -35.24 6.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.507 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 1.3 tpt -75.55 -63.96 1.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.477 ' N ' ' HG3' ' A' ' 30' ' ' MET . 16.7 p -88.11 -22.74 23.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 67.2 43.45 2.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.462 HG12 ' SG ' ' A' ' 31' ' ' CYS . 6.4 p -99.65 130.07 49.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.151 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -57.35 141.03 48.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.53 ' HD3' ' CD2' ' A' ' 12' ' ' TRP . 3.4 pttp -102.47 143.28 32.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -99.36 -167.06 30.0 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.471 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.549 HG22 ' O ' ' A' ' 37' ' ' THR . 18.2 m 54.84 40.32 31.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.747 0.308 . . . . 0.0 111.148 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.4 m -67.2 -55.55 13.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 79.8 p -56.02 166.05 0.85 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.134 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 -127.45 115.72 19.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.831 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 30.5 mttm -102.64 142.74 25.19 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.55 0.69 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -20.45 34.82 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.659 2.24 . . . . 0.0 112.391 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -158.03 122.62 2.25 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.639 0.733 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 83.02 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.681 2.254 . . . . 0.0 112.317 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.427 HG23 ' N ' ' A' ' 46' ' ' SER . 27.1 m -40.07 -41.59 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.427 ' N ' HG23 ' A' ' 45' ' ' VAL . 46.7 t -88.95 141.99 28.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.815 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -57.62 173.9 0.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.1 m -67.36 -62.11 1.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 92.51 161.24 36.38 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.505 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 142.36 47.56 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.632 2.222 . . . . 0.0 112.36 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 98.0 p -139.93 127.25 21.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.859 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.2 m -42.64 -57.57 2.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.871 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.465 179.969 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.6 p -57.28 -50.42 72.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.863 0.363 . . . . 0.0 110.879 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.0 t -89.61 148.2 23.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.846 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.43 75.21 0.53 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.484 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -89.63 -56.82 3.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.846 0.355 . . . . 0.0 110.849 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.1 p -103.05 146.1 28.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.97 58.95 0.54 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.469 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -82.54 129.7 34.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.815 0.341 . . . . 0.0 110.838 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -77.16 -49.59 14.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.93 -67.46 2.96 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.513 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -63.41 135.22 56.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.828 0.347 . . . . 0.0 110.932 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.513 ' CE2' ' HD3' ' A' ' 35' ' ' LYS . 37.6 p-90 -108.71 130.13 55.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -79.79 141.67 36.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.42 ' SG ' ' N ' ' A' ' 15' ' ' SER . 36.5 t -87.31 161.49 17.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.42 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 59.5 m -116.04 -33.05 5.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.688 HG21 HG21 ' A' ' 33' ' ' VAL . 94.1 t -63.51 -62.46 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.148 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.495 ' SG ' ' CG ' ' A' ' 30' ' ' MET . 27.0 p -107.93 5.81 26.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.3 p 52.58 32.21 11.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.595 ' CE2' ' O ' ' A' ' 20' ' ' ARG . 71.8 t80 -90.29 142.32 27.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.595 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 17.7 ttp-105 -83.72 135.86 34.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -138.83 167.06 22.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.8 m -95.03 161.04 14.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.22 -54.74 42.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.113 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 2.7 pt-20 -43.97 -34.25 1.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.407 ' N ' ' HG3' ' A' ' 24' ' ' GLU . . . -64.09 116.84 6.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.417 ' C ' ' HG3' ' A' ' 27' ' ' LYS . 5.2 p90 -54.65 -44.17 73.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.417 ' HG3' ' C ' ' A' ' 26' ' ' PHE . 26.8 mtpt -144.09 175.46 10.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.3 t -52.51 164.11 0.37 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.66 -34.4 6.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.495 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 2.8 tpt -72.99 -64.32 0.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.474 ' N ' ' HG3' ' A' ' 30' ' ' MET . 19.5 p -91.23 -21.1 21.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 64.77 43.32 4.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.688 HG21 HG21 ' A' ' 16' ' ' VAL . 7.5 p -94.4 137.26 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.134 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -61.46 137.08 58.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.513 ' HD3' ' CE2' ' A' ' 12' ' ' TRP . 14.9 pttm -104.58 177.47 4.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 161.1 149.87 5.74 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.479 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 32.2 m -99.45 140.93 32.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 111.155 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.3 t -51.15 -58.68 5.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.565 HG22 ' O ' ' A' ' 39' ' ' THR . 19.6 m 64.01 40.41 7.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.136 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -81.22 137.23 35.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -110.99 125.44 30.66 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.584 0.706 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -15.01 36.95 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.719 2.279 . . . . 0.0 112.382 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.6 mtp85 -62.63 121.64 68.9 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.558 0.694 . . . . 0.0 110.88 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 128.19 15.65 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.67 2.247 . . . . 0.0 112.308 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.3 t -70.05 106.15 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.7 t -137.1 121.84 18.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -99.73 106.61 18.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.3 m -68.31 -44.76 74.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.883 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 159.21 143.1 3.56 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.49 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 156.32 63.53 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.679 2.252 . . . . 0.0 112.326 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.0 m -123.94 115.82 21.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 53' ' ' GLY . 35.2 m -53.35 -49.72 66.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 52' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.163 -0.799 . . . . 0.0 112.451 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.3 m -57.33 144.99 33.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.936 0.398 . . . . 0.0 110.811 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.1 p -92.85 -44.17 8.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.04 -174.23 48.97 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.466 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.5 m -74.39 141.77 45.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.838 0.351 . . . . 0.0 110.84 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.0 m -75.26 -58.18 3.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.98 -172.55 25.77 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.2 p30 -129.13 160.23 33.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.773 0.32 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -96.44 110.38 22.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 150.7 70.09 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.507 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -161.5 153.32 19.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.856 0.36 . . . . 0.0 110.937 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 22.5 p-90 -125.6 140.36 52.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -81.07 140.47 35.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.6 t -87.28 163.08 17.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.2 m -111.09 -32.73 6.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.817 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 90.2 t -72.56 -65.08 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.15 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.2 p -103.6 -5.0 23.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.2 p 55.53 31.97 18.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.171 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -82.96 142.27 31.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -76.95 109.27 10.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.405 ' OD1' ' SG ' ' A' ' 28' ' ' CYS . 4.4 m-80 -108.58 154.41 22.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.4 m -83.75 138.4 33.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 24' ' ' GLU . . . -39.6 -61.51 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 23' ' ' ALA . 17.0 tt0 -36.9 -49.6 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.7 110.46 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -54.8 -46.79 74.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.6 pttm -119.5 177.71 4.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.405 ' SG ' ' OD1' ' A' ' 21' ' ' ASN . 3.9 t -61.46 166.12 4.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.5 ttm -109.11 -33.5 6.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.479 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -76.43 -66.96 0.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.818 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.479 ' N ' ' HG3' ' A' ' 30' ' ' MET . 20.0 p -89.31 -21.02 23.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.867 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 65.18 48.0 2.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.5 p -93.55 150.37 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.155 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -66.41 140.52 58.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 36' ' ' GLY . 7.6 ptmt -110.99 -35.97 5.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.415 ' N ' ' HG3' ' A' ' 35' ' ' LYS . . . -60.08 116.39 9.01 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.499 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 36.8 m -65.55 -54.81 22.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.818 0.342 . . . . 0.0 111.175 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.7 m -90.57 158.01 17.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 74.3 m -57.37 -53.97 52.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.131 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -127.81 164.28 22.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.841 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.423 ' C ' ' HD3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -137.61 152.53 72.96 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.544 0.687 . . . . 0.0 110.884 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 111.11 2.74 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.705 2.27 . . . . 0.0 112.33 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 68.0 mtm180 -56.01 148.08 41.19 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.605 0.717 . . . . 0.0 110.864 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -176.42 1.49 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.705 2.27 . . . . 0.0 112.326 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 32.5 m -106.87 135.01 46.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.4 t -82.67 175.82 9.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -91.5 150.18 21.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.5 t -56.39 148.14 19.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.84 156.86 22.11 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.477 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 136.79 33.81 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.707 2.271 . . . . 0.0 112.35 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 60.3 p -83.39 -37.13 23.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 65.4 m -146.02 174.11 11.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.862 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.498 -179.951 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 t -118.76 106.96 13.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.906 0.384 . . . . 0.0 110.826 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.2 t -96.44 132.98 41.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.84 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.64 -114.65 0.3 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.489 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -71.8 -45.49 61.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.912 0.387 . . . . 0.0 110.867 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.6 t -111.47 132.13 54.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.877 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.46 51.08 0.56 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -154.43 175.18 13.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.753 0.311 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -73.9 175.38 7.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 127.83 -48.98 0.94 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.488 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -58.0 154.45 12.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.882 0.372 . . . . 0.0 110.934 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.53 ' CD2' ' HD2' ' A' ' 35' ' ' LYS . 7.2 p-90 -118.21 126.86 53.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.928 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.14 121.25 24.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.821 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 7.5 t -66.44 168.59 8.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.85 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.3 m -117.06 -33.7 4.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 86.6 t -71.19 -53.6 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.13 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.422 ' SG ' ' HB3' ' A' ' 19' ' ' PHE . 24.4 p -108.23 -5.36 16.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 45.1 p 52.16 36.98 20.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.581 ' CE2' ' HG3' ' A' ' 29' ' ' MET . 71.6 t80 -91.75 151.68 20.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.428 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 63.1 ttp85 -82.59 119.04 23.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -122.87 138.6 54.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.437 ' O ' ' CD1' ' A' ' 12' ' ' TRP . 89.2 p -59.49 178.16 0.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.35 -45.09 15.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -57.0 -39.87 75.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.7 112.93 1.02 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.096 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -63.87 -43.12 97.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.8 pttm -124.27 170.66 10.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.2 t -63.33 158.12 21.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.581 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 2.2 ppp? -106.25 -32.34 8.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.457 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 2.8 tpt -76.4 -66.25 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.545 ' SG ' HG12 ' A' ' 33' ' ' VAL . 12.6 p -86.82 -26.68 23.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 67.88 45.38 1.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.545 HG12 ' SG ' ' A' ' 31' ' ' CYS . 9.2 p -101.36 132.02 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.451 ' CZ ' ' HA2' ' A' ' 36' ' ' GLY . 2.8 tmt_? -52.03 139.96 21.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.53 ' HD2' ' CD2' ' A' ' 12' ' ' TRP . 0.0 OUTLIER -112.84 -37.96 4.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.451 ' HA2' ' CZ ' ' A' ' 34' ' ' ARG . . . 107.33 -165.19 13.08 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.448 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.0 m -77.59 117.79 19.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 111.118 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.5 p -88.03 -42.03 12.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 79.5 p -63.41 108.67 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -55.72 -50.2 70.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.0 ttmm -96.81 103.36 14.48 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.554 0.693 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -174.2 0.86 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.702 2.268 . . . . 0.0 112.332 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -113.95 139.38 23.52 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.679 0.752 . . . . 0.0 110.854 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -50.55 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.681 2.254 . . . . 0.0 112.356 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 33.5 m -140.75 139.58 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.5 m -119.59 119.08 32.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.823 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.45 ' HG3' ' N ' ' A' ' 48' ' ' SER . 8.8 pt20 -83.8 -35.57 24.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.904 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.45 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 3.2 m -64.11 -60.95 2.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.62 -114.02 4.9 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.454 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 2.8 3.16 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.702 2.268 . . . . 0.0 112.35 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 45.4 m -100.63 160.74 14.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.6 m -95.82 17.71 14.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.118 -0.823 . . . . 0.0 112.489 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.3 m -131.47 136.75 48.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.924 0.392 . . . . 0.0 110.843 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.8 t -83.11 -62.03 1.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.84 153.14 1.06 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.495 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.3 m -93.38 128.57 39.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 0.0 110.844 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.1 t -62.61 156.59 22.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.16 -51.08 3.1 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.474 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -49.01 -50.93 33.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.797 0.332 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -80.41 110.66 16.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 23' ' ' ALA . . . 148.33 33.58 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.439 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -82.9 149.06 27.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.845 0.355 . . . . 0.0 110.924 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.502 ' CD2' ' HD2' ' A' ' 35' ' ' LYS . 20.3 p-90 -114.55 131.2 56.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -82.54 135.65 35.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.9 t -78.51 162.06 26.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.3 t -114.98 -33.88 5.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.597 HG21 HG21 ' A' ' 33' ' ' VAL . 83.1 t -63.98 -63.74 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.13 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.447 ' SG ' ' CB ' ' A' ' 19' ' ' PHE . 22.3 p -104.04 3.36 33.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.5 p 52.36 32.4 11.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.184 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.447 ' CB ' ' SG ' ' A' ' 17' ' ' CYS . 81.6 t80 -89.86 147.77 23.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 66.7 ttp85 -88.58 123.33 32.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -118.41 164.06 15.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.1 m -83.34 155.6 23.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.424 ' HB2' ' O ' ' A' ' 10' ' ' GLY . . . -56.64 -51.26 69.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.102 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -49.87 -42.61 48.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.86 111.03 2.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.567 ' CE1' ' HG2' ' A' ' 27' ' ' LYS . 3.8 p90 -64.09 -44.97 90.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.858 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.567 ' HG2' ' CE1' ' A' ' 26' ' ' PHE . 39.6 pttt -111.8 164.65 12.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.954 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.1 t -58.12 165.61 1.86 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 16.1 tpt -108.46 -32.38 7.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.487 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 8.5 tpp -75.76 -65.36 0.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.487 ' N ' ' HG3' ' A' ' 30' ' ' MET . 21.8 p -89.45 -20.6 23.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 64.28 47.96 3.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.597 HG21 HG21 ' A' ' 16' ' ' VAL . 9.8 p -95.03 154.51 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.5 ptt-85 -74.48 139.62 44.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.502 ' HD2' ' CD2' ' A' ' 12' ' ' TRP . 7.3 pttm -112.67 174.98 5.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.93 89.13 0.1 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.49 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.3 m -123.79 139.93 53.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.774 0.321 . . . . 0.0 111.119 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.8 m -136.89 174.89 10.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.9 m -84.61 -53.01 5.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.139 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 18.8 tpt180 -127.82 125.14 39.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.4 mtpp -91.68 117.16 67.62 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.634 0.73 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 6.28 1.37 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.659 2.239 . . . . 0.0 112.353 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.0 mtp180 -104.02 160.4 26.19 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.595 0.712 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 165.48 30.78 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.7 2.266 . . . . 0.0 112.316 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 98.4 t -45.39 -51.79 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -152.29 156.33 39.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -77.07 154.64 33.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.1 t 59.73 42.0 17.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -104.78 -110.31 3.49 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -49.42 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.637 2.225 . . . . 0.0 112.361 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.0 m -104.93 165.6 10.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.5 m -113.99 159.69 19.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.82 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.487 -179.978 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.5 m -44.26 -58.68 2.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.944 0.402 . . . . 0.0 110.885 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -63.65 154.47 32.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.09 -169.67 41.55 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.523 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.6 m -119.5 132.84 55.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.893 0.378 . . . . 0.0 110.84 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.1 m -97.19 148.28 23.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.27 144.37 12.22 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -128.34 108.27 10.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.799 0.333 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.446 ' HG3' ' N ' ' A' ' 10' ' ' GLY . 3.6 pt-20 -47.28 -35.0 7.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.633 ' O ' ' HB2' ' A' ' 23' ' ' ALA . . . -78.69 73.44 2.26 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.476 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -132.18 155.65 47.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.85 0.357 . . . . 0.0 110.938 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.519 ' CD2' ' HD2' ' A' ' 35' ' ' LYS . 52.8 p-90 -127.69 128.12 44.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -79.64 128.15 33.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 15' ' ' SER . 27.4 t -72.55 161.89 30.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.438 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 7.3 t -114.8 -31.85 5.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.474 HG21 HG11 ' A' ' 33' ' ' VAL . 86.9 t -63.46 -61.55 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.124 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 30.6 p -109.35 4.56 22.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.1 p 54.8 32.15 17.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.434 ' CE2' ' O ' ' A' ' 20' ' ' ARG . 86.7 t80 -89.08 145.39 25.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.434 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 19.8 ttm105 -83.24 125.9 32.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -124.27 170.08 11.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.3 m -100.1 150.14 22.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.633 ' HB2' ' O ' ' A' ' 10' ' ' GLY . . . -48.58 -46.6 39.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -47.68 -58.9 3.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.97 117.7 3.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 1.6 t80 -68.1 -40.68 82.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.802 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -116.5 177.65 4.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.0 t -72.7 160.59 31.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.1 mmt -105.45 -27.41 11.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.476 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 0.9 OUTLIER -84.62 -61.88 1.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.476 ' N ' ' HG3' ' A' ' 30' ' ' MET . 14.3 p -85.83 -15.42 41.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 53.27 42.44 32.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.474 HG11 HG21 ' A' ' 16' ' ' VAL . 98.6 t -113.03 145.41 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.7 ptt180 -52.05 150.59 4.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.519 ' HD2' ' CD2' ' A' ' 12' ' ' TRP . 3.3 ptmm? -110.55 -33.45 6.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.432 ' N ' ' HG3' ' A' ' 35' ' ' LYS . . . 140.34 97.33 0.33 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.499 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 91.9 m -42.77 -44.72 4.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.787 0.327 . . . . 0.0 111.144 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.3 m -116.25 174.44 6.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.884 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 54.7 p -126.06 153.35 44.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.16 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 25.6 ttp180 -37.83 -54.16 1.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -88.83 109.38 29.68 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.582 0.706 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -11.9 31.72 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.712 2.275 . . . . 0.0 112.324 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -82.36 161.35 59.85 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.616 0.722 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 154.93 67.14 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.647 2.232 . . . . 0.0 112.357 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 29.5 m -89.59 -32.61 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.178 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 35.5 t -167.83 159.01 11.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -54.07 137.8 39.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.941 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.0 m -93.33 126.38 38.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.82 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -108.75 156.27 15.75 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.467 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 100.07 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.685 2.257 . . . . 0.0 112.36 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.0 t -110.55 128.21 55.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.3 m -75.76 -54.57 6.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.152 -0.804 . . . . 0.0 112.472 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 t -104.84 115.45 30.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.901 0.382 . . . . 0.0 110.853 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.4 p -106.31 159.64 15.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.54 -129.63 7.4 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.492 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 m -96.01 105.22 17.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.844 0.354 . . . . 0.0 110.841 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 t -147.81 150.63 34.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.862 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.06 99.25 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.501 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -52.65 164.67 0.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.786 0.327 . . . . 0.0 110.861 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 56.66 41.39 28.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -105.44 55.82 0.55 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.496 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -155.4 143.56 20.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.852 0.358 . . . . 0.0 110.908 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 59.2 p-90 -110.7 132.34 54.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.927 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -77.42 155.45 31.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.784 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 51.9 t -95.1 163.71 13.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.2 m -110.08 -31.29 7.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.444 HG21 HG21 ' A' ' 33' ' ' VAL . 98.2 t -75.44 -63.33 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.106 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.1 p -105.91 0.64 26.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.8 p 49.01 31.99 3.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.409 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 83.7 t80 -82.84 142.85 31.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -73.18 127.68 33.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.409 ' ND2' ' O ' ' A' ' 19' ' ' PHE . 13.5 m-80 -129.2 154.77 46.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.2 m -79.06 144.73 34.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.97 -55.26 12.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -41.38 -47.39 3.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.79 125.88 24.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.561 ' CE2' ' HG2' ' A' ' 27' ' ' LYS . 6.5 p90 -75.73 -41.02 54.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.561 ' HG2' ' CE2' ' A' ' 26' ' ' PHE . 35.2 pttt -119.62 165.7 14.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.945 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.7 t -56.95 164.85 1.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 5.6 mtt -108.57 -35.4 6.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.484 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 10.5 tpp -75.62 -65.57 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.504 ' SG ' HG12 ' A' ' 33' ' ' VAL . 14.0 p -86.18 -21.93 27.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 61.91 46.79 6.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.504 HG12 ' SG ' ' A' ' 31' ' ' CYS . 10.0 p -99.47 143.94 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 54.3 ttt180 -57.09 143.62 37.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.43 170.97 7.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.939 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 124.46 62.79 0.18 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.45 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.0 t -75.79 -40.11 55.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.812 0.339 . . . . 0.0 111.13 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.6 t -63.75 -53.87 44.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.6 t -61.07 -31.49 71.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.135 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.5 mtt180 -79.88 102.06 8.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.843 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.7 mmmt -75.7 122.4 87.01 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.575 0.703 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 2.79 3.24 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.709 2.273 . . . . 0.0 112.332 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.5 mtp85 -59.83 144.23 86.12 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.592 0.711 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 6.19 1.41 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.699 2.266 . . . . 0.0 112.356 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 45' ' ' VAL . 34.3 m -79.83 127.96 38.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.7 t -107.46 145.77 32.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -157.16 141.12 16.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.6 p -130.68 149.51 52.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 128.86 155.13 8.48 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.466 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 105.7 1.53 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.685 2.257 . . . . 0.0 112.364 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 89.5 p -63.47 123.51 18.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.836 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.5 t -166.29 155.64 11.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.903 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.5 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.9 m -50.13 -46.25 53.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.859 0.361 . . . . 0.0 110.835 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.8 t -45.68 -53.1 9.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.11 138.77 8.47 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.469 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m -84.76 -44.32 13.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.896 0.379 . . . . 0.0 110.827 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.3 m -68.57 117.6 10.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.36 -127.48 3.12 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.441 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -101.97 140.8 35.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.742 0.306 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 51.98 40.35 28.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -114.85 43.62 1.65 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.54 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -153.84 154.51 34.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.833 0.349 . . . . 0.0 110.913 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.526 ' CD2' ' HD2' ' A' ' 35' ' ' LYS . 26.2 p-90 -122.37 137.85 54.72 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -82.94 123.12 29.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 40.5 t -71.15 162.12 29.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.0 p -114.85 -30.42 6.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.63 HG21 HG11 ' A' ' 33' ' ' VAL . 82.8 t -67.87 -59.93 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.701 ' O ' HG22 ' A' ' 18' ' ' THR . 31.6 p -111.38 8.08 21.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.701 HG22 ' O ' ' A' ' 17' ' ' CYS . 12.0 t 48.08 32.06 2.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -87.7 152.18 22.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 46.6 ttp180 -87.23 125.54 34.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -122.48 177.97 5.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 88.2 p -99.01 141.83 31.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.67 -43.87 18.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.066 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -55.77 -53.77 52.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.863 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.59 118.52 3.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.134 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -77.63 -28.02 51.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.42 ' C ' ' HD3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -121.79 166.06 14.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -74.05 158.55 34.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.876 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 79.9 mmm -104.93 -26.81 12.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.469 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 0.9 OUTLIER -84.72 -62.78 1.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.469 ' N ' ' HG3' ' A' ' 30' ' ' MET . 14.3 p -84.89 -20.07 31.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 t70 57.52 43.71 22.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.63 HG11 HG21 ' A' ' 16' ' ' VAL . 77.7 t -113.16 135.68 51.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.01 148.1 6.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.526 ' HD2' ' CD2' ' A' ' 12' ' ' TRP . 2.3 ptmm? -110.26 9.77 23.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -81.68 160.26 41.17 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.473 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 68.9 p -84.32 -45.4 12.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.761 0.315 . . . . 0.0 111.125 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.2 t -124.1 128.01 48.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.834 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.9 m -74.82 107.85 7.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.133 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.4 mtt85 -90.08 -51.18 5.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.491 ' CG ' ' HG2' ' A' ' 43' ' ' ARG . 8.8 tptp -78.27 134.37 63.0 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.523 0.677 . . . . 0.0 110.947 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 4.74 2.0 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.668 2.246 . . . . 0.0 112.375 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.491 ' HG2' ' CG ' ' A' ' 41' ' ' LYS . 7.1 ptm180 -96.01 117.69 66.16 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.591 0.71 . . . . 0.0 110.868 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.416 ' O ' ' CG1' ' A' ' 45' ' ' VAL . 53.5 Cg_endo -69.76 -51.7 0.37 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.745 2.297 . . . . 0.0 112.339 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.416 ' CG1' ' O ' ' A' ' 44' ' ' PRO . 33.9 m -158.0 146.73 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.2 m -157.93 138.73 13.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -129.34 110.34 11.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.94 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.8 t -142.95 142.12 31.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.844 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -76.79 -77.35 0.79 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 145.68 58.1 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.729 2.286 . . . . 0.0 112.332 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.8 t -87.66 -49.95 6.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.9 t -39.84 -43.87 1.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.515 179.965 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -75.34 102.44 5.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.872 0.367 . . . . 0.0 110.878 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -77.99 -47.53 18.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.98 112.85 4.78 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.483 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -61.94 165.67 5.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.9 0.381 . . . . 0.0 110.878 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.2 m -149.79 176.04 11.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.29 53.31 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.445 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.18 -37.78 6.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.824 0.345 . . . . 0.0 110.866 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -54.38 155.06 4.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.13 46.88 0.11 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.404 ' HB2' ' O ' ' A' ' 21' ' ' ASN . 27.2 p90 -154.12 157.37 38.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.872 0.368 . . . . 0.0 110.92 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.535 ' CE2' ' HB2' ' A' ' 21' ' ' ASN . 29.9 p-90 -130.04 124.29 32.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.931 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.08 120.78 25.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.9 t -58.68 164.35 2.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.7 t -113.33 -33.57 5.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.825 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 92.2 t -67.45 -61.96 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.095 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.726 ' O ' HG22 ' A' ' 18' ' ' THR . 31.5 p -100.82 4.38 42.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.726 HG22 ' O ' ' A' ' 17' ' ' CYS . 11.9 t 48.73 32.13 3.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.47 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 94.2 t80 -92.52 128.12 38.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.846 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -58.99 119.23 6.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.535 ' HB2' ' CE2' ' A' ' 12' ' ' TRP . 1.7 m120 -107.95 163.73 12.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 74.3 p -107.04 136.61 46.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.58 -43.38 8.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.087 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -54.41 -46.6 73.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.33 104.37 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.118 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -43.98 -47.28 8.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -123.49 177.25 5.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.7 t -59.41 165.46 2.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.73 -29.82 6.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.511 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 0.7 OUTLIER -75.67 -63.39 1.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.481 ' N ' ' HG3' ' A' ' 30' ' ' MET . 31.3 p -90.79 -16.54 28.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 63.88 36.29 10.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.8 p -93.98 145.9 7.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -60.63 143.73 53.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -100.76 145.01 29.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 133.5 97.65 0.63 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 89.7 m -48.23 -50.0 31.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.823 0.344 . . . . 0.0 111.148 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.7 t -105.72 144.28 32.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.6 t -67.43 -40.47 85.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.161 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -60.62 157.41 14.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -137.98 145.06 46.4 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.57 0.7 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 6.29 1.37 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.658 2.239 . . . . 0.0 112.313 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.402 ' HA ' ' HD2' ' A' ' 44' ' ' PRO . 14.5 ttt85 -54.11 108.79 1.23 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.574 0.702 . . . . 0.0 110.871 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 43' ' ' ARG . 54.0 Cg_endo -69.76 3.47 2.75 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.647 2.231 . . . . 0.0 112.369 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.0 t -97.66 136.67 27.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.086 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.6 t -63.01 149.89 43.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.8 mp0 -81.73 11.94 4.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 73.9 m -65.03 -64.61 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 120.83 -77.41 0.32 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.482 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 88.69 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.673 2.249 . . . . 0.0 112.339 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.1 m -138.42 124.19 19.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.6 m -73.6 -61.63 1.77 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.107 -0.829 . . . . 0.0 112.526 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 1' ' ' GLY . 36.0 p -34.68 -52.24 0.51 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.851 0.358 . . . . 0.0 110.809 -179.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.4 m -95.15 155.48 16.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.91 -92.02 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.479 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -159.46 172.45 17.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.907 0.384 . . . . 0.0 110.825 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.9 p -126.6 150.28 48.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.818 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.85 -60.3 0.64 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.494 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.99 -60.57 2.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.738 0.304 . . . . 0.0 110.816 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -110.35 105.24 14.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.1 69.69 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -155.57 141.84 18.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.882 0.372 . . . . 0.0 110.886 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.442 ' CE3' ' HD2' ' A' ' 35' ' ' LYS . 13.0 p-90 -108.93 131.59 54.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.3 128.77 34.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.423 ' SG ' ' N ' ' A' ' 15' ' ' SER . 37.0 t -71.38 162.04 30.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.423 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 3.5 t -113.89 -30.43 6.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.647 HG21 HG21 ' A' ' 33' ' ' VAL . 93.8 t -65.82 -61.2 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.123 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.9 p -105.94 2.63 27.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.1 p 54.95 31.95 17.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.432 ' CE1' ' O ' ' A' ' 20' ' ' ARG . 58.1 t80 -93.04 139.28 30.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.432 ' O ' ' CE1' ' A' ' 19' ' ' PHE . 2.8 tmm_? -81.49 130.52 35.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.406 ' OD1' ' N ' ' A' ' 29' ' ' MET . 3.7 m-80 -123.8 177.72 5.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.3 p -99.2 159.62 14.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.3 -40.29 95.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.119 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -54.99 -44.31 74.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.88 128.09 34.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.139 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.431 ' CE2' ' HG2' ' A' ' 27' ' ' LYS . 3.1 p90 -77.03 -36.42 56.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.431 ' HG2' ' CE2' ' A' ' 26' ' ' PHE . 5.3 pttm -120.84 173.02 7.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.935 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.2 t -64.32 167.1 7.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.406 ' N ' ' OD1' ' A' ' 21' ' ' ASN . 20.0 ttt -107.58 -34.26 7.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.483 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 3.1 tpt -78.22 -66.46 0.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.503 ' C ' ' CG ' ' A' ' 32' ' ' ASP . 17.2 p -90.08 -12.25 38.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.503 ' CG ' ' C ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER 51.61 41.84 29.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.834 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.647 HG21 HG21 ' A' ' 16' ' ' VAL . 9.7 p -91.16 132.58 35.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 17.5 ttm105 -52.09 140.78 19.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.442 ' HD2' ' CE3' ' A' ' 12' ' ' TRP . 8.1 pttm -111.12 -36.99 5.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -53.35 108.09 0.71 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 93.6 m -50.84 -60.99 2.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.817 0.342 . . . . 0.0 111.17 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.4 m -76.48 118.95 19.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 89.6 m -138.86 145.15 39.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.419 ' NE ' ' HA ' ' A' ' 40' ' ' ARG . 2.7 tpm_? -57.8 157.95 6.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.6 pttt -84.42 139.36 38.6 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.529 0.681 . . . . 0.0 110.911 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 83.39 0.7 Allowed 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.703 2.269 . . . . 0.0 112.372 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 79.2 mtt-85 -153.33 142.38 14.58 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.6 0.714 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 109.52 2.32 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.679 2.253 . . . . 0.0 112.324 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.2 p -100.12 127.96 52.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.9 p -86.61 120.25 27.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -119.97 167.06 12.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.5 t -61.41 -62.38 1.87 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.463 ' C ' ' H ' ' A' ' 51' ' ' SER . . . 144.65 -92.1 0.16 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.51 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 17.62 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.65 2.233 . . . . 0.0 112.369 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.463 ' H ' ' C ' ' A' ' 49' ' ' GLY . 58.5 m -53.22 152.35 4.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.7 t -130.43 166.2 20.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.828 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.161 -0.799 . . . . 0.0 112.484 179.95 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.3 p -152.03 159.88 43.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.871 0.367 . . . . 0.0 110.848 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.7 m -45.94 -61.02 1.92 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.48 116.38 0.4 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.491 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.0 m -54.03 -47.96 71.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.886 0.374 . . . . 0.0 110.842 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.6 p -58.99 126.3 27.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.83 151.3 8.29 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.53 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -58.87 117.2 4.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.791 0.329 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -114.98 124.52 51.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -167.4 40.64 0.24 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.537 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -156.43 162.75 39.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.917 0.389 . . . . 0.0 110.897 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 6.2 p-90 -131.9 129.91 40.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -82.85 113.55 20.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.854 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 48.7 t -56.85 162.74 2.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.8 t -112.59 -30.76 7.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.508 HG21 HG21 ' A' ' 33' ' ' VAL . 99.2 t -68.94 -62.92 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.123 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.703 ' O ' HG22 ' A' ' 18' ' ' THR . 31.8 p -103.89 6.82 36.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.703 HG22 ' O ' ' A' ' 17' ' ' CYS . 9.5 t 47.91 32.06 2.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -87.29 139.65 30.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.5 ttm180 -82.02 113.87 20.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -110.82 178.68 4.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.4 m -103.69 157.33 17.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.04 -43.2 99.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -52.78 -47.67 67.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.852 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.8 122.65 12.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -68.61 -41.91 78.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.2 171.71 10.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.7 t -62.3 160.55 12.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -108.82 -28.95 8.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.475 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 2.1 tpt -78.9 -66.79 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.475 ' N ' ' HG3' ' A' ' 30' ' ' MET . 15.8 p -88.81 -23.3 22.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 67.68 46.37 1.33 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.508 HG21 HG21 ' A' ' 16' ' ' VAL . 7.2 p -95.9 134.42 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.135 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.405 ' NH1' ' HB2' ' A' ' 34' ' ' ARG . 7.2 ttm105 -58.3 138.83 56.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.8 ptmm? -104.11 170.11 8.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 119.83 114.92 2.5 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.464 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 32.8 m -60.38 -51.78 68.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.831 0.348 . . . . 0.0 111.204 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 87.3 p -66.84 -43.0 84.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 44.6 m -40.86 -47.32 2.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.187 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -74.2 117.17 15.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -125.67 152.75 72.61 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.551 0.691 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 175.66 7.84 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.68 2.253 . . . . 0.0 112.345 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 72.8 mtm180 -70.43 118.47 64.7 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.639 0.733 . . . . 0.0 110.83 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -171.45 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.712 2.274 . . . . 0.0 112.338 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.435 HG13 ' N ' ' A' ' 46' ' ' SER . 7.7 p -52.52 -42.85 40.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.121 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.435 ' N ' HG13 ' A' ' 45' ' ' VAL . 21.4 t 61.74 47.41 6.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.886 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -160.09 161.82 33.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.0 m -43.57 -46.75 7.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 84.74 91.7 0.78 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.504 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -23.9 30.28 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.692 2.261 . . . . 0.0 112.333 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.1 t -139.91 151.92 45.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.859 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.2 m -95.19 171.13 8.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.097 -0.835 . . . . 0.0 112.534 179.957 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.0 p -102.5 152.14 21.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.862 0.363 . . . . 0.0 110.888 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 t -78.14 -54.2 6.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.869 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.56 -167.52 26.29 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.5 m -75.27 104.24 5.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 0.0 110.866 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.3 t -67.43 -48.61 66.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.28 -151.86 20.94 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.471 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -82.5 165.9 19.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.798 0.332 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.427 ' HB3' ' CE2' ' A' ' 11' ' ' TYR . 52.3 mm-40 -104.25 137.06 42.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.33 52.59 0.63 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.5 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.427 ' CE2' ' HB3' ' A' ' 9' ' ' GLU . 8.4 p90 -147.6 151.37 36.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.876 0.369 . . . . 0.0 110.939 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 15.2 p-90 -109.31 136.63 48.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -82.54 139.94 33.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.84 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 53.3 t -88.76 162.54 16.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.3 t -115.89 -33.79 4.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.533 HG21 HG21 ' A' ' 33' ' ' VAL . 96.4 t -63.88 -61.69 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.14 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.406 ' SG ' ' CB ' ' A' ' 19' ' ' PHE . 29.7 p -107.51 4.08 25.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.0 p 52.23 32.03 10.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.199 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.406 ' CB ' ' SG ' ' A' ' 17' ' ' CYS . 84.3 t80 -89.17 161.44 16.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.1 ttp180 -101.92 121.68 42.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -119.09 157.28 28.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 57.3 m -84.5 141.29 30.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.67 -47.75 7.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.077 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -40.89 -55.55 2.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.58 127.73 32.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.054 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.507 ' CE2' ' HD2' ' A' ' 27' ' ' LYS . 7.6 p90 -77.22 -30.79 54.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.507 ' HD2' ' CE2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -120.58 160.93 22.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.1 t -57.83 164.16 2.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.8 tpp -107.32 -32.25 7.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.482 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 8.4 tpp -77.09 -66.49 0.82 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.482 ' N ' ' HG3' ' A' ' 30' ' ' MET . 18.0 p -88.01 -22.82 24.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.7 t70 66.92 48.0 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.533 HG21 HG21 ' A' ' 16' ' ' VAL . 7.8 p -93.03 152.77 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.167 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.66 144.34 56.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.441 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 1.8 ptmm? -107.66 -37.82 6.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 111.12 178.56 20.38 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.452 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.5 t -146.36 136.45 23.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.845 0.355 . . . . 0.0 111.133 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.7 m -61.89 122.98 16.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.853 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.2 t -92.97 -39.71 10.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.152 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 90.0 mtt-85 -67.44 145.69 54.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.417 ' C ' ' H ' ' A' ' 43' ' ' ARG . 18.5 mmmt -100.14 158.26 32.34 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.596 0.712 . . . . 0.0 110.879 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 11.05 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.417 ' H ' ' C ' ' A' ' 41' ' ' LYS . 17.5 tpp180 -62.21 136.09 95.33 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.562 0.696 . . . . 0.0 110.9 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 150.89 68.48 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.648 2.232 . . . . 0.0 112.315 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.56 ' O ' HG12 ' A' ' 45' ' ' VAL . 22.2 t 58.87 46.82 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.7 t -94.12 -58.01 2.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.825 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.494 ' HG2' ' N ' ' A' ' 48' ' ' SER . 3.1 pm0 -71.64 -39.54 70.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.494 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.7 m -168.4 156.32 8.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.542 ' HA2' HG13 ' A' ' 45' ' ' VAL . . . -87.24 113.56 3.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.53 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -4.56 14.23 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.709 2.273 . . . . 0.0 112.339 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 28.9 p -84.75 17.91 2.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.0 t 61.93 42.35 10.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.459 -179.959 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.0 p -93.86 133.56 37.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.868 0.366 . . . . 0.0 110.899 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -141.04 173.34 11.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.08 -49.26 0.6 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.504 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -55.4 -52.22 64.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.876 0.369 . . . . 0.0 110.826 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.9 m -57.99 110.96 1.02 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.848 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.22 -49.34 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.501 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -116.6 115.89 26.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.754 0.312 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.426 ' H ' ' CD ' ' A' ' 9' ' ' GLU . 1.1 pm0 -74.89 164.29 26.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.5 ' O ' ' HB2' ' A' ' 23' ' ' ALA . . . 149.59 -53.84 0.5 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.497 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -70.48 137.93 50.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.859 0.362 . . . . 0.0 110.918 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.513 ' CD2' ' HD2' ' A' ' 35' ' ' LYS . 22.3 p-90 -118.22 126.46 52.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.95 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.88 131.24 39.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.9 t -79.84 163.13 24.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.9 t -113.52 -31.42 6.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.539 HG21 HG21 ' A' ' 33' ' ' VAL . 89.6 t -69.99 -63.47 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.539 ' O ' HG22 ' A' ' 18' ' ' THR . 30.0 p -103.64 9.41 37.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.539 HG22 ' O ' ' A' ' 17' ' ' CYS . 15.1 t 44.28 31.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.548 ' CE2' ' O ' ' A' ' 20' ' ' ARG . 62.9 t80 -83.77 169.86 14.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.548 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 1.5 tpp85 -107.41 134.44 50.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -135.4 173.05 12.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.502 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 18.6 m -110.8 150.89 28.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.804 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' A' ' 10' ' ' GLY . . . -44.78 -59.39 2.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.087 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.446 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 7.7 pt-20 -42.28 -38.12 1.71 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 22' ' ' SER . . . -59.26 114.05 2.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.075 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -58.59 -45.34 89.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -141.03 170.01 16.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.96 161.78 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.3 ttm -114.45 -30.18 6.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.498 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 3.1 tpt -74.63 -63.42 1.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.471 ' N ' ' HG3' ' A' ' 30' ' ' MET . 21.8 p -92.15 -16.45 26.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 62.91 41.68 8.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.539 HG21 HG21 ' A' ' 16' ' ' VAL . 4.4 p -98.94 133.38 41.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.077 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.2 ttp180 -56.5 143.67 34.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.513 ' HD2' ' CD2' ' A' ' 12' ' ' TRP . 4.5 ptmt -109.34 -37.53 5.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.419 ' N ' ' HG3' ' A' ' 35' ' ' LYS . . . 112.72 -153.89 17.22 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.498 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.8 m -90.51 149.78 22.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 0.0 111.16 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.9 m -58.36 130.72 48.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.7 t -65.16 -24.13 67.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.173 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.2 mmt-85 -106.15 166.45 10.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.402 ' C ' ' H ' ' A' ' 43' ' ' ARG . 15.5 tptp -93.11 133.23 29.06 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.586 0.708 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 11.49 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.724 2.282 . . . . 0.0 112.308 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.402 ' H ' ' C ' ' A' ' 41' ' ' LYS . 16.6 ttm180 -115.78 127.55 26.69 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.609 0.719 . . . . 0.0 110.915 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 152.8 69.74 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.746 2.298 . . . . 0.0 112.351 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.2 m -96.51 144.89 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.4 m -77.36 -49.59 14.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -153.87 163.71 39.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.951 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 49' ' ' GLY . 38.9 t -122.59 128.93 51.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 48' ' ' SER . . . 37.22 82.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.464 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -38.77 7.26 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.688 2.259 . . . . 0.0 112.316 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 52.4 m -132.75 140.54 48.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.7 t -74.07 129.4 37.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.453 179.989 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.6 t -54.87 -49.27 71.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.363 . . . . 0.0 110.861 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.1 t -142.66 156.59 45.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.815 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.73 109.74 0.41 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t -90.02 128.69 36.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.9 0.381 . . . . 0.0 110.869 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 t -149.38 164.52 34.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.842 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.42 -166.52 22.81 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.502 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.39 131.12 54.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.773 0.321 . . . . 0.0 110.842 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -144.35 154.65 43.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.804 ' O ' ' HB2' ' A' ' 23' ' ' ALA . . . 150.41 56.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.518 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -144.78 174.29 11.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.845 0.355 . . . . 0.0 110.935 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 26.6 p-90 -133.57 139.03 46.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -87.88 142.19 28.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.859 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 15' ' ' SER . 37.6 t -86.72 161.99 18.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.426 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 52.7 p -112.38 -34.38 5.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 73.6 t -67.15 -66.7 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.148 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.693 ' O ' HG22 ' A' ' 18' ' ' THR . 23.3 p -103.87 5.93 36.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.693 HG22 ' O ' ' A' ' 17' ' ' CYS . 12.3 t 47.91 32.05 2.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.198 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.443 ' CB ' ' SG ' ' A' ' 17' ' ' CYS . 55.2 t80 -89.04 124.85 34.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 44.7 ttp180 -71.88 127.6 33.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 19' ' ' PHE . 1.8 m-80 -120.76 167.75 12.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.0 m -89.55 144.2 26.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.804 ' HB2' ' O ' ' A' ' 10' ' ' GLY . . . -46.93 -46.43 21.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.106 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -50.44 -31.18 14.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.61 113.75 15.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.078 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -58.54 -47.93 82.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.93 170.97 8.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.2 169.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.61 -32.51 6.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.474 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 2.1 tpp -79.37 -63.83 1.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.474 ' N ' ' HG3' ' A' ' 30' ' ' MET . 17.3 p -90.56 -18.31 25.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 t70 62.73 47.93 4.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.5 p -95.69 143.97 11.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.9 mmt-85 -60.67 146.51 45.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.91 177.95 4.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 47.83 45.17 25.02 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.48 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 67.2 p -97.83 -49.32 4.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.775 0.321 . . . . 0.0 111.153 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.4 m -54.77 -44.63 73.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.826 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 48.4 p -60.06 131.73 51.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.114 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -117.83 114.16 22.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -100.34 137.88 20.08 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.545 0.688 . . . . 0.0 110.929 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 93.46 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.131 0 C-N-CA 122.668 2.245 . . . . 0.0 112.34 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -93.13 129.38 39.57 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.646 0.736 . . . . 0.0 110.848 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -19.73 35.82 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.724 2.283 . . . . 0.0 112.331 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 20.0 m -137.04 142.47 37.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.09 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 75.3 m -79.24 -61.59 1.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.429 ' CD ' ' C ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -100.95 171.61 7.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.2 p -146.37 176.45 9.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.486 ' N ' ' HD2' ' A' ' 50' ' ' PRO . . . -65.26 -59.32 8.01 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.507 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 49' ' ' GLY . 53.6 Cg_endo -69.78 7.49 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.694 2.263 . . . . 0.0 112.363 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.9 m -54.77 -14.35 1.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.5 p -63.19 104.58 0.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.851 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.471 179.967 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -129.15 133.97 47.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 0.0 110.842 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.9 p 52.02 40.04 27.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 41.63 58.2 3.1 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.9 p -80.6 -43.85 19.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.901 0.381 . . . . 0.0 110.893 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.1 p -74.96 -47.65 28.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.855 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.46 -160.56 19.17 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.555 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -123.26 174.9 7.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.791 0.329 . . . . 0.0 110.833 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -91.06 129.2 37.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.526 ' C ' ' HB2' ' A' ' 23' ' ' ALA . . . 156.76 -45.39 0.51 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.522 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -54.44 139.21 38.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.895 0.378 . . . . 0.0 110.914 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.501 ' CE2' ' HD2' ' A' ' 35' ' ' LYS . 41.3 p-90 -115.96 135.33 54.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.936 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -82.92 113.97 20.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.846 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 15' ' ' SER . 30.2 t -59.29 161.7 5.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.433 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 21.3 t -114.91 -32.99 5.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.469 HG21 HG11 ' A' ' 33' ' ' VAL . 98.8 t -62.47 -61.68 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.118 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 31.4 p -109.75 5.02 22.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.6 p 53.14 33.4 15.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.169 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.413 ' CE2' ' O ' ' A' ' 20' ' ' ARG . 53.7 t80 -88.08 141.31 28.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.413 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 27.4 ttm180 -80.87 114.4 19.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -108.45 178.05 4.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 90.6 p -107.06 145.66 32.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.526 ' HB2' ' C ' ' A' ' 10' ' ' GLY . . . -48.35 -45.99 36.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.105 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.43 ' H ' ' CD ' ' A' ' 24' ' ' GLU . 12.5 mp0 -51.1 -44.22 61.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.51 122.16 19.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.062 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -73.33 -43.83 60.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.45 176.89 5.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.2 t -76.34 163.01 27.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.5 ttt -106.37 -31.55 8.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.474 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 1.0 OUTLIER -81.67 -62.55 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.474 ' N ' ' HG3' ' A' ' 30' ' ' MET . 14.0 p -85.4 -17.53 36.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.1 t0 53.23 43.9 30.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.826 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.469 HG11 HG21 ' A' ' 16' ' ' VAL . 85.3 t -111.26 143.74 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.03 147.21 7.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.501 ' HD2' ' CE2' ' A' ' 12' ' ' TRP . 3.3 ptmm? -109.58 -35.07 6.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.947 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.446 ' N ' ' HG3' ' A' ' 35' ' ' LYS . . . -35.9 145.97 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.454 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 66.1 p -61.22 -38.43 86.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.771 0.32 . . . . 0.0 111.127 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.9 m -142.73 137.5 29.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 47.1 m -92.67 117.89 30.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.126 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -68.36 134.72 50.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.8 mmtm -102.87 126.67 31.93 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.602 0.715 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 148.18 64.69 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.688 2.259 . . . . 0.0 112.375 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.484 ' HG3' HG22 ' A' ' 45' ' ' VAL . 11.1 tpp180 -67.42 129.7 93.57 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.586 0.708 . . . . 0.0 110.891 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -22.08 32.72 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.725 2.283 . . . . 0.0 112.347 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.484 HG22 ' HG3' ' A' ' 43' ' ' ARG . 35.8 m -91.61 -38.7 10.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.133 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 48' ' ' SER . 15.3 t -62.19 149.19 42.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.51 ' O ' ' CG ' ' A' ' 47' ' ' GLN . 0.1 OUTLIER 36.4 32.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.898 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 46' ' ' SER . 4.4 t -139.53 166.89 23.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 123.03 152.32 8.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.461 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 126.19 13.04 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.678 2.252 . . . . 0.0 112.331 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 39.5 m 59.38 41.35 19.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 38.5 p -118.53 131.03 56.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.857 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.479 -179.941 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.385 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.1 p -87.36 -40.38 14.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.879 0.371 . . . . 0.0 110.872 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.7 t -71.83 -56.48 5.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.98 166.68 14.3 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.514 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 6' ' ' SER . 25.8 m -62.27 -59.22 5.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.854 0.359 . . . . 0.0 110.832 -179.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 5' ' ' SER . 20.1 m -34.78 -54.55 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.15 71.99 1.25 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.484 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -138.05 140.41 40.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.799 0.333 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -74.27 139.88 44.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -152.57 -42.29 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.469 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 34.7 p90 -56.8 133.51 54.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.848 0.356 . . . . 0.0 110.925 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 18.4 p-90 -105.78 127.73 53.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -80.6 112.2 17.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 47.7 t -55.47 163.31 1.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.6 p -114.25 -32.63 5.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 74.1 t -67.94 -62.6 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.114 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.694 ' O ' HG22 ' A' ' 18' ' ' THR . 29.5 p -105.25 6.68 33.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.694 HG22 ' O ' ' A' ' 17' ' ' CYS . 9.3 t 48.01 31.94 2.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.406 ' CB ' ' SG ' ' A' ' 17' ' ' CYS . 89.6 t80 -85.95 140.04 30.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -83.85 122.66 29.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -120.75 165.97 14.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 59.6 p -85.45 152.14 23.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.3 -43.66 75.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -53.79 -42.29 68.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.59 121.33 13.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.149 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.26 -43.94 39.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.08 152.75 31.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -52.74 161.43 0.74 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 19.3 ttt -109.34 -29.59 8.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.496 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 11.9 tpp -77.54 -67.57 0.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.605 ' SG ' HG12 ' A' ' 33' ' ' VAL . 13.9 p -85.43 -21.45 28.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 36.0 t0 63.83 45.9 4.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.605 HG12 ' SG ' ' A' ' 31' ' ' CYS . 8.5 p -99.16 142.53 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 -57.88 143.88 40.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.1 ptmm? -104.71 178.29 4.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -42.08 -94.92 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.464 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 34.2 p -115.74 175.22 5.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.772 0.32 . . . . 0.0 111.147 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.3 p -112.61 162.06 16.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 71.4 p -129.8 147.43 51.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.123 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 22.3 ttt180 -167.21 172.14 10.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.7 ptmm? -147.31 124.82 5.84 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.592 0.71 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 149.57 66.82 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.679 2.253 . . . . 0.0 112.336 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.8 ptt-85 -53.81 115.72 8.62 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.6 0.714 . . . . 0.0 110.843 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -40.02 5.88 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.697 2.265 . . . . 0.0 112.323 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.6 t -132.08 120.69 44.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 98.0 p -121.59 169.01 11.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -133.54 132.99 41.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.1 m 53.68 41.96 31.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -98.88 146.19 18.03 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.482 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 156.69 62.59 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.653 2.235 . . . . 0.0 112.293 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 40.6 t -90.57 -61.56 1.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.8 p -90.4 -54.49 3.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.851 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.467 179.964 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.439 -0.264 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 t -61.25 128.92 38.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.915 0.388 . . . . 0.0 110.866 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.6 m -78.45 -50.46 11.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.839 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.29 -48.4 1.03 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 t -77.25 149.13 35.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 110.847 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m -102.08 126.48 49.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.833 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.97 102.13 0.21 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.491 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -79.9 -60.87 2.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.766 0.317 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -124.35 135.65 53.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.631 ' CA ' ' HB2' ' A' ' 23' ' ' ALA . . . -133.03 -46.16 0.11 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.528 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -55.1 151.61 8.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.878 0.37 . . . . 0.0 110.938 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 15.7 p-90 -134.35 120.12 19.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.47 125.68 24.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.443 ' HB3' ' CA ' ' A' ' 18' ' ' THR . 14.1 t -70.58 166.98 19.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.3 m -112.23 -34.19 5.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 87.8 t -77.73 -62.63 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.149 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.509 ' SG ' ' CG ' ' A' ' 30' ' ' MET . 18.8 p -104.77 6.83 34.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.471 HG22 ' O ' ' A' ' 17' ' ' CYS . 14.5 t 42.13 31.99 0.28 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.463 ' CB ' ' SG ' ' A' ' 17' ' ' CYS . 80.1 t80 -79.59 143.32 34.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -74.22 114.67 12.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.846 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 19' ' ' PHE . 20.1 m-80 -116.61 162.5 17.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.6 m -95.22 158.75 15.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.631 ' HB2' ' CA ' ' A' ' 10' ' ' GLY . . . -60.1 -47.43 85.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.079 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -46.53 -49.6 18.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.81 113.36 6.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.073 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.587 ' CZ ' ' HG2' ' A' ' 27' ' ' LYS . 2.8 p90 -66.45 -40.27 89.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.587 ' HG2' ' CZ ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -112.25 162.77 15.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 27.9 t -66.94 161.94 23.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 5.2 ttp -107.19 -31.33 8.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.509 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 1.8 tpt -73.63 -67.38 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.83 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.475 ' N ' ' HG3' ' A' ' 30' ' ' MET . 16.9 p -87.16 -25.21 24.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.834 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.0 t70 68.02 46.08 1.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.9 p -97.05 146.65 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -62.34 143.82 56.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.43 ' CD ' ' O ' ' A' ' 26' ' ' PHE . 2.1 ptmm? -104.97 148.75 26.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -175.37 70.23 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.6 p -94.54 -37.12 11.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.759 0.314 . . . . 0.0 111.102 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.0 t -99.85 141.7 32.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 28.6 m -53.18 -46.29 68.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.172 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -56.87 106.54 0.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -58.32 149.0 61.31 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.595 0.712 . . . . 0.0 110.871 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 105.63 1.52 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.681 2.254 . . . . 0.0 112.349 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -97.17 128.94 33.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.609 0.718 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 168.2 22.29 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.618 2.212 . . . . 0.0 112.356 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.0 p -136.38 131.47 48.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 55.9 m -75.18 -45.83 38.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -139.28 128.24 23.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 46.5 t -87.0 125.99 34.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 175.91 116.42 0.45 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 155.06 66.84 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.625 2.216 . . . . 0.0 112.35 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.5 t -68.5 -61.28 1.9 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 93.0 p -84.27 -44.75 13.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.125 -0.82 . . . . 0.0 112.522 -179.988 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.6 p -77.3 -44.45 29.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.897 0.379 . . . . 0.0 110.876 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.7 m -158.82 165.98 32.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.876 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.83 124.62 4.47 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.503 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.3 m -83.49 149.99 26.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.358 . . . . 0.0 110.873 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.0 t -73.29 -57.85 3.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.845 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.74 51.35 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.494 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -77.7 -60.37 2.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.802 0.334 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -114.96 148.24 39.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.638 ' O ' ' HB2' ' A' ' 23' ' ' ALA . . . -173.29 -71.81 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.462 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.6 p90 -58.32 147.76 29.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.862 0.363 . . . . 0.0 110.874 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.558 ' CE2' ' HG3' ' A' ' 35' ' ' LYS . 30.4 p-90 -120.28 129.91 54.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.99 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -74.62 114.26 12.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.825 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.1 t -52.12 168.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 95.9 p -108.26 -37.96 5.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.3 t -77.82 -63.02 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.131 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.477 ' SG ' ' CG ' ' A' ' 30' ' ' MET . 14.5 p -90.25 -13.56 35.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.0 p 54.4 36.47 25.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.465 ' CE2' ' O ' ' A' ' 20' ' ' ARG . 90.5 t80 -89.97 165.3 14.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.913 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.465 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 20.2 ttp-105 -87.25 119.05 27.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -127.01 131.7 50.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.3 t -65.18 151.36 46.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.808 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.638 ' HB2' ' O ' ' A' ' 10' ' ' GLY . . . -58.13 -45.07 87.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.116 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -53.96 -37.92 64.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.71 110.4 1.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.089 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.571 ' CE2' ' HG2' ' A' ' 27' ' ' LYS . 5.5 p90 -57.84 -37.97 74.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.571 ' HG2' ' CE2' ' A' ' 26' ' ' PHE . 10.8 pttm -127.83 170.33 12.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.7 t -66.95 161.27 24.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -108.65 -21.77 12.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.482 ' HG3' ' N ' ' A' ' 31' ' ' CYS . 9.2 tpp -82.27 -64.53 1.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.482 ' N ' ' HG3' ' A' ' 30' ' ' MET . 31.1 p -93.26 -13.56 28.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 62.93 35.57 13.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.479 HG12 ' SG ' ' A' ' 31' ' ' CYS . 9.9 p -88.03 141.38 14.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.3 tpp180 -52.16 146.93 8.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.558 ' HG3' ' CE2' ' A' ' 12' ' ' TRP . 3.1 tmtt? -109.78 131.37 55.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 35' ' ' LYS . . . -34.89 -49.82 0.78 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.504 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 27.7 m -61.82 144.13 55.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.764 0.316 . . . . 0.0 111.118 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.8 m -85.37 173.01 10.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.8 t -92.59 156.73 16.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.131 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 40.0 ttm-85 -64.59 143.1 58.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.427 ' HD2' ' N ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -53.69 142.29 43.24 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.578 0.704 . . . . 0.0 110.908 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 -171.84 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.65 2.233 . . . . 0.0 112.339 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.1 mtm180 -103.31 103.47 35.26 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.599 0.714 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 104.35 1.31 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.698 2.265 . . . . 0.0 112.297 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.5 t -58.16 -58.66 5.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 78.0 p -106.96 113.47 26.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -114.56 137.17 52.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 69.7 m -48.64 -52.6 22.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.22 169.8 10.03 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.504 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -50.44 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.657 2.238 . . . . 0.0 112.312 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.8 t -123.61 164.24 19.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.94 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.4 t -104.13 143.59 32.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.48 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_