data_2eqg_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 2eqg _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 ' 8' ' ' SER . . . . . . . . . . . . . 2.1 p . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.932 0.396 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 71.1 mt -52.85 111.93 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.4 mmt -87.49 178.29 6.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -79.15 11.2 2.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 81.1 t -99.16 132.2 44.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -72.19 150.13 44.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.1 t -52.23 142.03 17.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -38.59 -61.27 0.72 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 90.8 m -51.98 124.05 27.71 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.525 0.679 . . . . 0.0 111.125 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -1.19 8.06 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.704 2.269 . . . . 0.0 112.37 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -107.09 -17.89 14.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 9.1 t -84.79 110.31 26.88 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.629 0.728 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -8.99 25.01 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.665 2.243 . . . . 0.0 112.362 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -84.0 154.38 23.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -89.82 159.01 17.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.5 ptp -94.6 127.45 40.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.71 176.26 7.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.6 t -77.01 -19.89 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.118 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -109.73 -2.88 17.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 30' ' ' LEU . 34.4 p -111.54 -21.68 11.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.141 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.538 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 10.1 pt20 -51.96 151.52 6.45 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.628 0.728 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.5 Cg_endo -69.78 -17.29 12.04 Favored 'Cis proline' 0 C--O 1.232 0.193 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.382 -0.02 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 27' ' ' THR . 89.0 mt -81.05 170.72 15.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.6 p -101.92 178.55 4.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.826 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -56.31 -39.84 73.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.818 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -64.08 -65.92 0.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 35' ' ' SER . 56.7 m -56.91 -53.67 55.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 34' ' ' CYS . 28.1 t -35.81 -68.15 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 37' ' ' ARG . 12.1 pt-20 -57.53 -43.13 84.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.429 ' N ' ' HG3' ' A' ' 36' ' ' GLU . 34.6 mtp85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.887 0.375 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 31.1 mt -54.78 107.24 0.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 25.4 mtp -68.97 172.73 6.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -89.04 12.6 15.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.446 ' CG2' ' HE2' ' A' ' 23' ' ' MET . 7.7 p -112.39 139.61 36.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -65.98 151.71 46.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.5 t -52.7 142.01 19.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -38.57 -55.34 1.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 87.6 m -52.18 124.33 30.11 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.538 0.685 . . . . 0.0 111.116 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 0.21 5.97 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.662 2.241 . . . . 0.0 112.33 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -115.17 -9.17 12.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.2 t -95.51 108.94 42.84 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.592 0.711 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -16.36 37.61 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.686 2.257 . . . . 0.0 112.326 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -70.36 146.35 50.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -82.08 155.25 25.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.446 ' HE2' ' CG2' ' A' ' 12' ' ' VAL . 0.8 OUTLIER -96.22 119.28 34.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.5 m -70.47 177.36 3.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 62.8 t -75.65 -24.82 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.115 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -102.94 -1.33 29.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.466 HG22 ' CA ' ' A' ' 32' ' ' HIS . 38.5 p -114.68 -23.81 9.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.526 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 24.5 pt20 -52.41 152.04 6.75 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.602 0.715 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.7 Cg_endo -69.74 -10.21 11.35 Favored 'Cis proline' 0 C--O 1.232 0.205 0 C-N-CA 122.751 -1.77 . . . . 0.0 112.323 0.011 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 27' ' ' THR . 77.0 mt -87.67 175.69 7.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.5 ' O ' ' N ' ' A' ' 34' ' ' CYS . 15.7 p -106.84 149.45 27.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.466 ' CA ' HG22 ' A' ' 27' ' ' THR . 2.5 t-160 -34.72 -50.35 0.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -54.02 -42.66 69.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.5 ' N ' ' O ' ' A' ' 31' ' ' CYS . 57.1 m -78.7 -58.11 3.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 34' ' ' CYS . 13.4 t -34.21 -56.71 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 37' ' ' ARG . 12.2 pt-20 -49.92 -41.69 46.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 34' ' ' CYS . 26.1 mmm180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.885 0.374 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 36.5 mt -74.71 138.79 43.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.0 mmt -96.87 167.58 11.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.8 p30 -83.23 15.38 2.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.7 p -111.79 134.97 52.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -64.03 156.56 27.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.6 t -61.06 145.67 50.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.461 ' N ' ' HE3' ' A' ' 23' ' ' MET . 10.8 tp10 -40.23 -58.55 1.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 58.8 m -51.96 124.97 30.22 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.543 0.687 . . . . 0.0 111.145 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 3.15 2.95 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.649 2.233 . . . . 0.0 112.332 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -115.58 -14.29 11.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 11.4 t -90.74 111.76 49.62 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.646 0.736 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -16.8 37.62 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.697 2.265 . . . . 0.0 112.366 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -60.77 170.84 1.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -111.33 154.41 24.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.461 ' HE3' ' N ' ' A' ' 15' ' ' GLU . 3.3 mtt -74.3 119.67 18.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.927 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.438 ' CB ' ' OG1' ' A' ' 27' ' ' THR . 1.0 OUTLIER -77.6 176.82 8.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.849 -179.791 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 88.2 t -82.79 -22.34 8.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.116 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -114.23 0.24 14.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.438 ' OG1' ' CB ' ' A' ' 24' ' ' SER . 32.7 p -113.91 -14.9 12.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.537 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 13.8 pt20 -52.69 148.23 13.52 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.588 0.708 . . . . 0.0 110.953 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 54.1 Cg_endo -69.73 -25.08 8.22 Favored 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.383 -0.014 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 24.8 mt -68.18 176.88 2.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 12.9 p -106.23 178.22 4.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.856 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.485 ' CD2' ' OE1' ' A' ' 36' ' ' GLU . 2.6 t-160 -55.83 -52.97 62.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.801 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -50.77 -58.95 4.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.462 ' O ' ' C ' ' A' ' 35' ' ' SER . 72.2 m -61.61 -63.27 1.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 34' ' ' CYS . 4.1 t -33.33 -64.01 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.485 ' OE1' ' CD2' ' A' ' 32' ' ' HIS . 9.1 pt-20 -64.17 -43.9 93.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 -179.907 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.3 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.945 0.402 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.02 107.19 0.69 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.7 mmt -73.54 167.55 21.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -82.44 12.83 4.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.8 t -103.22 135.69 39.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.15 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -65.15 149.48 49.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 15' ' ' GLU . 13.2 t -53.59 140.68 27.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 14' ' ' CYS . 13.2 tp10 -36.58 -58.94 0.7 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.406 ' CG2' ' H ' ' A' ' 18' ' ' ASN . 54.4 m -52.04 124.9 30.63 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.564 0.697 . . . . 0.0 111.17 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 0.75 5.25 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.645 2.23 . . . . 0.0 112.306 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.406 ' H ' ' CG2' ' A' ' 16' ' ' THR . 27.5 m120 -115.09 -2.23 12.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.7 t -103.89 107.57 57.18 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.637 0.732 . . . . 0.0 110.914 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 -14.0 35.26 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.719 2.279 . . . . 0.0 112.308 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -70.29 145.02 51.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -84.35 145.57 28.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -89.81 125.35 35.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.414 ' N ' ' OG1' ' A' ' 27' ' ' THR . 40.1 m -75.54 178.04 6.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.7 t -74.86 -27.71 20.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -99.17 -3.2 34.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 30' ' ' LEU . 36.2 p -113.38 -25.99 8.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.181 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.527 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 5.1 pt20 -51.98 151.97 6.02 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.66 0.743 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 54.1 Cg_endo -69.72 -13.54 12.32 Favored 'Cis proline' 0 C--O 1.232 0.212 0 C-N-CA 122.657 -1.81 . . . . 0.0 112.375 -0.078 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 27' ' ' THR . 72.3 mt -83.52 169.91 14.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.457 ' O ' ' C ' ' A' ' 32' ' ' HIS . 13.9 p -105.65 153.1 22.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.457 ' C ' ' O ' ' A' ' 31' ' ' CYS . 2.0 t-160 -33.45 -55.85 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -50.35 -51.29 46.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 35' ' ' SER . 99.6 m -68.33 -61.51 1.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 34' ' ' CYS . 46.6 t -34.4 -63.15 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 37' ' ' ARG . 17.5 pt-20 -55.52 -47.38 76.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.43 ' N ' ' HG3' ' A' ' 36' ' ' GLU . 48.7 mtt-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.897 0.38 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 74.3 mt -66.45 122.23 17.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.966 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 23.1 mtp -80.4 172.57 13.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -86.52 15.33 5.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.7 p -115.11 139.75 39.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -68.43 157.14 36.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.948 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 15' ' ' GLU . 32.4 t -57.8 138.36 55.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.867 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 14' ' ' CYS . 15.4 tp10 -34.46 -60.91 0.41 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.401 ' CG2' ' H ' ' A' ' 18' ' ' ASN . 52.6 m -52.07 124.64 30.2 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.541 0.686 . . . . 0.0 111.14 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -2.57 10.41 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.638 2.226 . . . . 0.0 112.331 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.401 ' H ' ' CG2' ' A' ' 16' ' ' THR . 5.0 t-20 -106.15 -16.95 14.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.0 t -88.47 110.16 34.53 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.605 0.717 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -15.52 37.29 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.695 2.263 . . . . 0.0 112.368 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -75.05 150.41 38.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -86.44 155.98 20.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.1 ptp -91.23 124.21 35.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.46 ' N ' ' OG1' ' A' ' 27' ' ' THR . 1.2 t -70.17 178.42 2.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.5 t -76.98 -27.81 16.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -104.98 1.09 28.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.46 ' OG1' ' N ' ' A' ' 24' ' ' SER . 40.5 p -111.77 -24.85 9.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.159 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.524 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 11.6 pt20 -52.03 152.56 5.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.623 0.725 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.6 Cg_endo -69.81 -11.14 11.91 Favored 'Cis proline' 0 C--O 1.232 0.213 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.344 0.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.457 ' O ' ' C ' ' A' ' 27' ' ' THR . 62.3 mt -86.4 170.73 11.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.915 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.4 ' O ' ' C ' ' A' ' 32' ' ' HIS . 11.6 p -103.77 159.11 15.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.5 ' CD2' ' C ' ' A' ' 32' ' ' HIS . 1.0 OUTLIER -38.52 -52.53 1.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.825 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.12 -59.92 3.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 75.0 m -62.04 -63.02 1.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.8 t -43.62 -26.74 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -86.05 -63.24 1.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.895 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.879 0.371 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.4 mt -55.57 116.46 2.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.2 mmm -89.25 173.48 8.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -77.08 5.57 7.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.0 t -88.02 128.54 40.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -65.32 145.0 56.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 15' ' ' GLU . 32.5 t -51.98 144.34 12.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.875 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 14' ' ' CYS . 4.9 tm-20 -35.05 -61.0 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 52.3 m -57.88 124.66 70.31 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.627 0.727 . . . . 0.0 111.141 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 0.22 5.97 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.697 2.265 . . . . 0.0 112.351 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -107.26 -21.3 13.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.8 t -78.56 112.73 28.77 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.649 0.738 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -4.19 13.5 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.677 2.251 . . . . 0.0 112.358 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -89.42 155.32 19.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -92.7 153.47 18.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.86 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -87.72 128.08 35.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 t -74.61 177.73 5.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 86.3 t -77.71 -26.04 14.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.1 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -106.01 -0.33 25.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.6 p -112.74 -19.03 12.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.156 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.543 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 3.4 pt20 -52.76 151.19 8.52 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.533 0.682 . . . . 0.0 110.959 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.7 Cg_endo -69.76 -22.76 9.44 Favored 'Cis proline' 0 C--O 1.232 0.213 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.317 0.031 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.5 mt -74.34 174.18 9.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 12.2 p -106.22 177.98 4.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -54.79 -52.51 62.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -52.31 -63.8 1.02 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.429 ' O ' ' N ' ' A' ' 37' ' ' ARG . 80.8 m -56.44 -61.01 2.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.5 t -42.53 -38.28 1.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -65.24 -37.74 88.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 34' ' ' CYS . 30.1 mmm180 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.2 t . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.909 0.385 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.4 mt -56.07 105.0 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.3 mtp -75.05 174.5 9.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -85.02 8.56 17.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.462 HG11 ' CE ' ' A' ' 23' ' ' MET . 36.2 t -90.97 126.39 43.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -60.84 142.45 56.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 15' ' ' GLU . 40.1 t -52.19 137.99 26.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 14' ' ' CYS . 2.5 tm-20 -35.06 -56.15 0.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 99.3 m -54.49 123.39 43.54 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.564 0.697 . . . . 0.0 111.163 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 0.41 5.66 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.693 2.262 . . . . 0.0 112.353 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -113.54 -9.51 13.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.8 t -93.47 108.74 35.95 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.637 0.732 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -12.16 32.39 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.707 2.272 . . . . 0.0 112.348 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -76.88 149.6 36.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -84.43 155.19 22.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.462 ' CE ' HG11 ' A' ' 12' ' ' VAL . 0.9 OUTLIER -92.93 126.3 37.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.8 t -72.45 178.6 3.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 84.4 t -78.38 -21.86 13.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.099 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -108.84 -4.57 16.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 30' ' ' LEU . 43.6 p -107.48 -20.87 13.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.54 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 4.1 pt20 -54.27 151.35 13.64 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.628 0.728 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.7 Cg_endo -69.78 -15.08 12.55 Favored 'Cis proline' 0 C--N 1.342 0.211 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.345 0.025 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 27' ' ' THR . 79.5 mt -81.07 173.89 12.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 10.5 p -104.6 175.43 5.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -49.27 -56.96 7.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -53.63 -68.0 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 37' ' ' ARG . 72.3 m -49.32 -64.16 0.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.6 t -39.48 -37.09 0.43 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -78.81 -40.8 31.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 34' ' ' CYS . 2.3 mmp_? . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.0 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.877 0.37 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.2 mt -53.48 121.94 8.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.937 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 32.8 mmm -90.27 177.56 6.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -81.74 13.5 3.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.458 HG11 ' CG ' ' A' ' 23' ' ' MET . 8.2 p -109.3 128.22 65.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -62.71 153.36 32.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 15' ' ' GLU . 24.7 t -52.97 143.45 17.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 14' ' ' CYS . 26.1 tt0 -35.79 -59.98 0.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.6 m -56.69 123.75 59.44 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.534 0.683 . . . . 0.0 111.164 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 1.35 4.53 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.627 2.218 . . . . 0.0 112.315 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -108.04 -24.88 11.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.857 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.8 t -72.76 112.31 14.71 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.63 0.728 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 0.85 4.98 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.686 2.257 . . . . 0.0 112.371 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.401 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 80.9 m-85 -101.68 153.31 19.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -89.42 160.92 16.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.458 ' CG ' HG11 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -93.97 128.75 40.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.893 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.95 176.16 5.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 70.0 t -76.07 -23.94 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 -106.73 -1.23 22.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 31.5 p -112.12 -20.63 11.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.539 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 7.6 pt20 -52.11 151.41 6.87 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.603 0.716 . . . . 0.0 110.887 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.7 Cg_endo -69.81 -20.62 10.72 Favored 'Cis proline' 0 C--O 1.232 0.215 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.36 0.035 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.8 mt -77.57 173.52 11.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.8 p -105.12 177.67 4.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -51.54 -53.4 38.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -53.99 -68.0 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 37' ' ' ARG . 47.8 m -54.2 -63.23 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.3 t -40.65 -40.46 1.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -78.65 -32.48 47.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 34' ' ' CYS . 20.0 ttm180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.9 t . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.934 0.397 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 71.7 mt -72.23 113.26 9.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 24.3 mtp -71.82 172.7 9.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -90.94 16.39 9.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.834 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.445 HG13 ' CG ' ' A' ' 23' ' ' MET . 9.2 p -116.55 135.18 57.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.075 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -62.01 151.32 35.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 15' ' ' GLU . 41.4 t -54.65 136.34 45.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.871 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 14' ' ' CYS . 3.9 tp10 -34.03 -56.54 0.48 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 69.2 m -52.01 124.19 28.39 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.559 0.695 . . . . 0.0 111.158 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -7.0 19.94 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.657 2.238 . . . . 0.0 112.348 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -106.63 -5.06 18.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.2 t -99.72 105.82 36.55 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.607 0.718 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -10.55 28.9 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.703 2.268 . . . . 0.0 112.389 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -79.11 146.89 32.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -81.09 153.46 27.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.445 ' CG ' HG13 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -94.12 121.64 35.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.451 ' N ' ' OG1' ' A' ' 27' ' ' THR . 2.7 m -70.86 178.05 3.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 84.2 t -76.0 -25.86 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.108 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -101.59 1.86 38.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.451 ' OG1' ' N ' ' A' ' 24' ' ' SER . 70.9 p -116.47 -25.43 7.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.526 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 20.1 pt20 -52.09 151.53 6.7 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.621 0.724 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.3 Cg_endo -69.85 -6.06 9.35 Favored 'Cis proline' 0 C--O 1.232 0.219 0 C-N-CA 122.741 -1.775 . . . . 0.0 112.262 0.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' A' ' 27' ' ' THR . 83.3 mt -91.75 178.05 6.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.2 p -107.71 178.1 4.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -54.47 -43.68 71.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -61.29 -67.97 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 48.5 m -53.96 -55.68 24.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.6 t -51.21 -31.39 20.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -78.14 -56.59 4.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.85 -179.869 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 72.4 m . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.874 0.368 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 75.6 mt -58.24 109.78 0.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 19.7 mmm -64.68 174.21 1.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -83.19 6.21 20.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.462 HG12 ' CG ' ' A' ' 23' ' ' MET . 14.5 p -105.94 136.34 40.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -64.97 152.42 43.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.438 ' O ' ' C ' ' A' ' 15' ' ' GLU . 31.7 t -52.38 140.59 21.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.891 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 14' ' ' CYS . 27.7 tp10 -34.0 -63.93 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 82.2 m -52.93 123.52 33.01 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.579 0.704 . . . . 0.0 111.104 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -0.49 6.99 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.63 2.22 . . . . 0.0 112.363 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -105.02 -22.7 13.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 11.0 t -76.64 111.78 18.01 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.661 0.743 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 2.96 3.07 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.713 2.275 . . . . 0.0 112.304 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.424 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 81.6 m-85 -103.8 156.33 17.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.925 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -91.4 160.19 15.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.462 ' CG ' HG12 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -91.83 126.88 37.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.6 t -73.34 178.41 4.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.879 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.7 t -77.99 -20.39 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -108.67 -6.04 16.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 30' ' ' LEU . 55.8 p -107.82 -19.19 13.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.535 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 8.2 pt20 -52.56 151.45 7.77 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.593 0.711 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.4 Cg_endo -69.71 -15.01 12.45 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.658 -1.809 . . . . 0.0 112.349 -0.036 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 27' ' ' THR . 75.3 mt -84.59 177.33 8.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 10.2 p -106.0 177.49 4.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -54.72 -50.73 67.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -52.99 -58.7 6.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 35' ' ' SER . 65.8 m -62.44 -64.67 0.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 34' ' ' CYS . 12.1 t -38.26 -42.72 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -77.68 -40.55 41.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.822 -179.914 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.0 t . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.913 0.387 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.3 mt -54.83 104.96 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.4 mtp -75.82 175.67 8.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -85.58 12.71 8.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.3 t -96.62 122.16 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -56.4 144.87 29.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.438 ' O ' ' C ' ' A' ' 15' ' ' GLU . 15.9 t -52.26 141.0 20.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 14' ' ' CYS . 33.6 tt0 -34.41 -60.93 0.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 83.0 m -54.32 123.82 44.35 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.633 0.73 . . . . 0.0 111.151 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 0.19 6.02 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.706 2.271 . . . . 0.0 112.342 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -110.72 -9.37 14.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.1 t -93.03 109.05 37.02 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.638 0.733 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -2.1 9.56 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.726 2.284 . . . . 0.0 112.373 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -88.09 148.69 24.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -87.01 149.86 24.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -90.4 125.94 35.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.1 t -73.3 178.83 4.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.7 t -77.97 -18.3 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.138 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -108.68 -7.47 15.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.461 HG21 ' CA ' ' A' ' 32' ' ' HIS . 59.6 p -106.9 -21.54 12.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.207 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.534 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 3.3 pt20 -52.52 151.49 7.64 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.63 0.728 . . . . 0.0 110.877 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.9 Cg_endo -69.73 -13.57 12.34 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.337 -0.04 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 27' ' ' THR . 72.2 mt -84.78 175.05 9.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.941 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 34' ' ' CYS . 15.2 p -108.59 149.95 28.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.494 ' CD2' ' H ' ' A' ' 33' ' ' GLU . 3.4 p80 -35.17 -48.64 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.494 ' H ' ' CD2' ' A' ' 32' ' ' HIS . 2.1 mm-40 -54.5 -42.88 71.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 37' ' ' ARG . 92.6 m -80.67 -57.74 3.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 34' ' ' CYS . 8.3 t -33.0 -52.92 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 37' ' ' ARG . 11.0 pt-20 -54.88 -45.43 74.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 34' ' ' CYS . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.819 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.901 0.381 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 99.5 mt -55.98 107.99 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.6 mmt -73.63 178.14 4.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -88.85 13.09 13.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.0 p -108.36 127.0 65.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -58.3 152.62 17.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.418 ' O ' ' C ' ' A' ' 15' ' ' GLU . 41.4 t -54.71 144.43 22.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.847 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 14' ' ' CYS . 14.5 tm-20 -36.74 -60.57 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 79.0 m -52.87 123.74 33.42 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.622 0.725 . . . . 0.0 111.148 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 -1.78 9.08 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.643 2.229 . . . . 0.0 112.317 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 73.9 m-80 -109.78 -6.11 15.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.4 t -94.3 110.91 51.32 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.643 0.735 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -15.7 37.2 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.656 2.238 . . . . 0.0 112.382 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -80.24 148.07 30.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -83.7 160.6 21.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -100.74 122.11 42.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.447 ' N ' ' OG1' ' A' ' 27' ' ' THR . 2.4 m -70.62 178.26 3.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 48.9 t -75.96 -21.53 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -104.12 -4.45 23.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.456 ' C ' ' O ' ' A' ' 30' ' ' LEU . 64.4 p -110.96 -24.91 10.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.182 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.529 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 3.5 pt20 -51.92 151.75 6.13 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.551 0.691 . . . . 0.0 110.949 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.9 Cg_endo -69.73 -12.45 12.13 Favored 'Cis proline' 0 C--O 1.232 0.202 0 C-N-CA 122.649 -1.813 . . . . 0.0 112.391 -0.051 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.456 ' O ' ' C ' ' A' ' 27' ' ' THR . 80.0 mt -86.56 175.66 8.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 35' ' ' SER . 10.6 p -104.47 178.71 4.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -54.83 -45.78 74.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -62.3 -69.3 0.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 35' ' ' SER . 60.7 m -52.39 -53.41 45.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 31' ' ' CYS . 28.2 t -35.61 -67.41 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.53 ' CD ' ' N ' ' A' ' 37' ' ' ARG . 1.9 pp20? -65.45 -41.69 93.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.858 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.53 ' N ' ' CD ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.906 0.384 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.5 mt -83.49 144.41 29.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 12.6 mmt -100.54 160.09 14.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -82.22 17.91 1.54 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.3 t -108.72 130.14 62.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -59.23 152.76 19.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 15' ' ' GLU . 14.8 t -57.87 138.76 55.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.871 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 14' ' ' CYS . 34.5 tp10 -34.29 -51.28 0.44 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 99.0 m -57.21 123.96 63.58 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.54 0.686 . . . . 0.0 111.158 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -0.92 7.56 Favored 'Trans proline' 0 C--N 1.34 0.116 0 C-N-CA 122.714 2.276 . . . . 0.0 112.338 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -114.71 -13.34 12.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.3 t -89.21 110.54 39.21 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.62 0.724 . . . . 0.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -6.26 18.18 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.687 2.258 . . . . 0.0 112.341 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -70.54 172.58 8.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -113.06 153.04 28.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.7 mtt -74.47 126.96 31.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 t -91.23 155.91 18.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.862 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 86.6 t -68.9 -11.82 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.161 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -118.04 -6.21 10.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.5 p -117.82 -13.89 10.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.528 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 21.8 pt20 -53.65 151.35 11.29 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.637 0.732 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.7 Cg_endo -69.76 -21.41 10.23 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.711 -1.787 . . . . 0.0 112.37 -0.008 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.6 mt -73.37 176.6 5.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 34' ' ' CYS . 2.8 p -113.38 157.04 22.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.638 ' N ' ' CD2' ' A' ' 32' ' ' HIS . 0.0 OUTLIER -38.75 -66.4 0.28 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 179.93 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.492 ' H ' ' CD2' ' A' ' 32' ' ' HIS . 3.7 tp10 -39.12 -31.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.903 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 37' ' ' ARG . 68.2 m -89.13 -65.74 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 34' ' ' CYS . 2.5 t -35.1 -33.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 34' ' ' CYS . 20.5 pt-20 -72.44 -47.05 52.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 34' ' ' CYS . 17.9 ptt180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 62.8 m . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.877 0.37 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.464 HD21 ' CE1' ' A' ' 32' ' ' HIS . 81.6 mt -82.98 113.56 20.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.932 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.4 mmt -69.54 163.74 24.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -84.94 17.99 2.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 25.0 t -110.73 140.6 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -68.26 157.56 35.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.0 t -61.12 144.98 52.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.474 ' N ' ' HE1' ' A' ' 23' ' ' MET . 38.7 tt0 -41.83 -54.0 3.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.2 m -52.02 126.24 33.98 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.554 0.692 . . . . 0.0 111.174 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -1.63 8.78 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.692 2.261 . . . . 0.0 112.37 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -118.0 6.89 12.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 20' ' ' PRO . 8.9 t -113.38 106.99 53.99 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.653 0.74 . . . . 0.0 110.892 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 19' ' ' CYS . 53.2 Cg_endo -69.84 -16.29 37.17 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.686 2.258 . . . . 0.0 112.348 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.602 ' CE2' ' OE1' ' A' ' 33' ' ' GLU . 40.2 m-85 -56.0 160.23 2.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -101.34 147.91 25.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.474 ' HE1' ' N ' ' A' ' 15' ' ' GLU . 3.1 mtt -73.42 140.12 46.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.852 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.79 157.64 16.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.5 t -68.39 -10.86 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.401 ' O ' ' OD1' ' A' ' 26' ' ' ASN . 6.9 t-20 -117.29 -14.49 10.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.6 p -108.98 -13.92 14.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.525 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 11.5 mt-30 -55.54 152.38 17.94 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.623 0.725 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.8 Cg_endo -69.7 -22.68 9.44 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.367 -0.05 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 62.7 mt -73.05 175.5 6.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.462 ' O ' ' C ' ' A' ' 32' ' ' HIS . 8.4 p -106.92 148.9 28.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.673 ' N ' ' CD2' ' A' ' 32' ' ' HIS . 0.0 OUTLIER -31.99 -56.7 0.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.836 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.602 ' OE1' ' CE2' ' A' ' 21' ' ' PHE . 6.6 mt-10 -47.88 -51.01 24.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 36' ' ' GLU . 84.3 m -77.83 -63.35 1.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.48 ' C ' ' O ' ' A' ' 34' ' ' CYS . 84.0 p -32.05 -37.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.843 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 34' ' ' CYS . 20.0 pt-20 -90.04 -42.41 11.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 34' ' ' CYS . 29.2 ttt180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.1 t . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.925 0.393 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 75.8 mt -52.73 116.75 2.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.1 mtp -79.78 175.46 10.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.0 p-10 -84.68 16.89 2.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.5 t -107.14 154.46 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.523 ' CE ' ' N ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -81.98 145.79 30.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 15' ' ' GLU . 35.4 t -52.87 142.41 19.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 14' ' ' CYS . 28.6 tp10 -35.08 -53.85 0.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 88.6 m -60.71 122.68 70.15 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.602 0.715 . . . . 0.0 111.116 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 0.89 5.04 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.653 2.236 . . . . 0.0 112.317 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -112.96 -9.17 13.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 33.8 t -90.39 109.9 37.02 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.658 0.742 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -1.08 7.84 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.737 2.291 . . . . 0.0 112.316 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -91.47 152.09 20.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -90.02 149.21 22.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -80.75 134.59 35.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 t -82.33 175.09 10.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.1 t -77.73 -20.39 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.128 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -111.56 1.99 17.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.9 p -117.99 -15.87 9.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.133 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.54 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 14.1 pt20 -54.71 151.12 15.83 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.604 0.716 . . . . 0.0 110.943 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.9 Cg_endo -69.78 -21.36 10.29 Favored 'Cis proline' 0 C--O 1.232 0.184 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.326 0.047 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 34.8 mt -74.05 172.95 10.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 6.3 p -105.27 178.08 4.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -54.98 -53.61 53.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -52.03 -65.03 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 35' ' ' SER . 80.9 m -53.23 -58.66 6.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 34' ' ' CYS . 8.6 t -35.58 -67.91 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -60.37 -40.94 92.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.4 ttt-85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.912 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.923 0.392 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 76.3 mt -57.13 104.31 0.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 16.4 mtm -75.04 174.56 9.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.5 p30 -83.97 10.74 9.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.9 t -94.42 132.6 38.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.124 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -64.97 149.32 49.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 15' ' ' GLU . 41.4 t -58.21 142.38 47.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 14' ' ' CYS . 4.9 tm-20 -35.0 -62.32 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 90.6 m -52.01 124.3 28.66 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.584 0.706 . . . . 0.0 111.177 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 1.32 4.53 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.719 2.279 . . . . 0.0 112.331 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -111.52 -13.85 13.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.6 t -89.82 109.9 35.82 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.639 0.733 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -17.58 37.52 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.644 2.23 . . . . 0.0 112.37 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -71.1 147.63 48.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -84.83 153.17 23.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.6 ptp -94.25 128.96 41.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.61 177.85 5.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.3 t -77.25 -24.0 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.184 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -106.54 0.35 24.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.462 ' C ' ' O ' ' A' ' 30' ' ' LEU . 28.8 p -113.29 -25.84 8.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.524 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 11.9 pt20 -52.18 153.91 4.52 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.623 0.725 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.5 Cg_endo -69.78 -10.9 11.76 Favored 'Cis proline' 0 C--O 1.231 0.147 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.358 0.037 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.462 ' O ' ' C ' ' A' ' 27' ' ' THR . 93.7 mt -86.76 165.84 15.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.461 ' O ' ' C ' ' A' ' 32' ' ' HIS . 10.1 p -100.58 152.95 19.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.461 ' C ' ' O ' ' A' ' 31' ' ' CYS . 2.0 t-160 -32.0 -44.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -62.19 -58.87 6.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.46 ' HA ' ' CD ' ' A' ' 37' ' ' ARG . 81.3 m -66.58 -15.37 63.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.9 t -84.13 -46.52 11.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -66.89 -30.39 70.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.46 ' CD ' ' HA ' ' A' ' 34' ' ' CYS . 48.1 ptt85 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.891 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.9 t . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.895 0.378 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.2 mt -58.36 136.5 57.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.6 mmt -88.98 165.55 14.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -82.79 16.68 2.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.813 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.427 ' CG1' ' SD ' ' A' ' 23' ' ' MET . 12.4 p -115.34 136.0 53.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.105 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -65.76 158.89 26.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.8 t -62.1 144.29 55.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -45.26 -47.81 12.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.427 ' CG2' ' H ' ' A' ' 18' ' ' ASN . 46.0 m -54.61 126.78 57.73 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.526 0.679 . . . . 0.0 111.168 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.4 ' HD2' HG23 ' A' ' 16' ' ' THR . 53.9 Cg_endo -69.74 -4.82 14.79 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.663 2.242 . . . . 0.0 112.372 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.427 ' H ' ' CG2' ' A' ' 16' ' ' THR . 8.2 m-20 -118.01 13.52 13.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.403 ' HA ' ' HD2' ' A' ' 20' ' ' PRO . 12.0 t -120.0 106.72 40.83 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.657 0.741 . . . . 0.0 110.914 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 19' ' ' CYS . 53.1 Cg_endo -69.79 -18.09 37.08 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.632 2.221 . . . . 0.0 112.316 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.421 ' CE2' ' HG3' ' A' ' 33' ' ' GLU . 45.8 m-85 -55.64 165.48 0.84 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -104.9 152.94 22.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.427 ' SD ' ' CG1' ' A' ' 12' ' ' VAL . 2.4 mtt -77.65 118.68 20.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.9 m -80.49 175.06 11.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.863 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.8 t -77.24 -24.29 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.13 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -108.65 1.79 21.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.454 ' CG2' ' HA ' ' A' ' 32' ' ' HIS . 24.7 p -117.57 -15.74 10.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.113 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.543 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 17.2 pt20 -55.3 146.08 43.59 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.589 0.709 . . . . 0.0 110.921 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.5 Cg_endo -69.77 -25.08 8.24 Favored 'Cis proline' 0 C--O 1.232 0.2 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.339 -0.032 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 75.5 mt -68.28 178.34 1.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.4 p -105.17 179.15 4.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.454 ' HA ' ' CG2' ' A' ' 27' ' ' THR . 2.7 t-160 -55.92 -54.76 40.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.463 ' O ' ' CG ' ' A' ' 36' ' ' GLU . 6.2 mm-40 -51.76 -66.42 0.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 74.3 m -52.29 -55.29 22.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.2 t -38.79 -58.3 1.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 37' ' ' ARG . 5.2 pt-20 -63.96 -36.11 82.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.852 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.466 ' N ' ' HG3' ' A' ' 36' ' ' GLU . 54.3 mtt-85 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.838 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.7 m . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.848 0.356 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.8 mt -63.3 121.11 12.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.5 mmt -75.91 167.85 21.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -81.38 15.31 2.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.448 ' CG1' ' SD ' ' A' ' 23' ' ' MET . 11.8 p -111.18 139.41 35.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -68.28 153.85 42.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 15' ' ' GLU . 13.1 t -56.07 138.06 50.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.871 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 14' ' ' CYS . 13.1 tp10 -34.57 -46.77 0.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.405 ' CG2' ' H ' ' A' ' 18' ' ' ASN . 45.5 m -62.12 125.45 85.42 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.568 0.699 . . . . 0.0 111.116 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -6.57 18.91 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.662 2.242 . . . . 0.0 112.354 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.405 ' H ' ' CG2' ' A' ' 16' ' ' THR . 47.1 m-20 -114.11 14.23 18.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.852 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 12.5 t -119.24 114.66 34.76 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.634 0.73 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -22.74 31.86 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.712 2.275 . . . . 0.0 112.362 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -54.11 159.66 1.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -105.26 146.67 28.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.448 ' SD ' ' CG1' ' A' ' 12' ' ' VAL . 4.6 mtt -68.18 125.92 27.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -88.56 155.18 19.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.859 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.7 t -67.95 -12.84 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.127 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -118.03 -5.48 10.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.8 p -116.24 -15.89 11.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.182 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.53 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 19.7 pt20 -52.43 152.26 6.54 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.565 0.698 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.6 Cg_endo -69.78 -24.81 8.38 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.719 -1.784 . . . . 0.0 112.314 0.033 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 52.9 mt -72.81 172.07 11.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.461 ' O ' ' C ' ' A' ' 32' ' ' HIS . 13.6 p -104.41 153.64 20.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.461 ' C ' ' O ' ' A' ' 31' ' ' CYS . 1.7 t-80 -32.83 -54.94 0.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 3.8 tp10 -51.37 -68.3 0.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 37' ' ' ARG . 79.8 m -58.97 -63.18 1.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 34' ' ' CYS . 19.1 m -34.94 -55.63 0.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 33' ' ' GLU . 4.8 pt-20 -69.34 -34.87 75.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 34' ' ' CYS . 19.5 tpt180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.2 t . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.892 0.377 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.0 mt -61.88 107.88 0.92 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.9 mmt -74.53 175.58 7.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -83.44 16.18 2.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.3 p -110.96 137.97 41.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.139 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -71.85 152.09 42.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 21' ' ' PHE . 23.6 t -52.55 138.72 27.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 14' ' ' CYS . 14.9 tp10 -35.61 -56.43 0.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.1 m -52.12 122.72 24.67 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.564 0.697 . . . . 0.0 111.153 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -4.58 14.34 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.651 2.234 . . . . 0.0 112.314 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -109.85 -6.72 15.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 11.7 t -95.14 109.57 45.41 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.677 0.751 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -5.68 16.78 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.677 2.252 . . . . 0.0 112.372 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.538 ' CD1' ' OE2' ' A' ' 33' ' ' GLU . 87.8 m-85 -85.47 148.15 26.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -85.71 160.02 19.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -102.72 119.88 39.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.441 ' N ' ' OG1' ' A' ' 27' ' ' THR . 51.4 m -73.39 174.52 8.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.6 t -72.77 -21.72 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.166 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -104.29 -0.17 28.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 30' ' ' LEU . 69.7 p -117.48 -23.86 7.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.533 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 8.5 pt20 -51.98 151.25 6.78 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.552 0.692 . . . . 0.0 110.919 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.4 Cg_endo -69.7 -15.6 12.3 Favored 'Cis proline' 0 C--O 1.231 0.172 0 C-N-CA 122.74 -1.775 . . . . 0.0 112.349 -0.062 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.472 HD21 ' CB ' ' A' ' 34' ' ' CYS . 43.0 mt -82.94 174.46 10.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.7 p -106.07 178.17 4.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.939 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -59.27 -36.09 74.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.538 ' OE2' ' CD1' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -66.85 -50.27 63.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.472 ' CB ' HD21 ' A' ' 30' ' ' LEU . 85.5 m -75.03 -24.12 58.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.7 t -82.84 -33.81 27.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.61 -35.24 39.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.846 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.893 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.7 p . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.914 0.388 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.6 mt -62.33 166.65 4.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 9.5 mmt -119.7 172.2 7.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.26 14.35 8.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.1 p -113.04 155.51 14.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.511 ' CE ' ' N ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -85.03 157.26 20.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 179.876 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.2 t -56.61 144.36 32.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.462 ' N ' ' HE3' ' A' ' 23' ' ' MET . 7.7 tt0 -40.52 -55.51 2.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 53.0 m -53.48 124.6 41.45 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.654 0.74 . . . . 0.0 111.154 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 1.24 4.61 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.719 2.279 . . . . 0.0 112.292 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -117.52 -7.38 11.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.0 t -95.69 115.38 65.46 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.652 0.739 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -28.12 25.93 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.668 2.245 . . . . 0.0 112.37 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -52.56 161.98 0.62 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -106.73 157.98 17.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.877 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.462 ' HE3' ' N ' ' A' ' 15' ' ' GLU . 6.5 mtt -75.06 140.84 43.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.408 ' CB ' ' OG1' ' A' ' 27' ' ' THR . 1.1 t -107.34 164.43 12.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.461 ' HA ' ' NE2' ' A' ' 28' ' ' GLN . 62.1 t -71.68 -17.06 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.138 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.84 -2.96 11.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.408 ' OG1' ' CB ' ' A' ' 24' ' ' SER . 21.7 p -116.55 -20.79 9.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.524 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 5.4 pt20 -51.95 153.02 4.86 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.613 0.72 . . . . 0.0 110.935 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.8 Cg_endo -69.74 -18.45 11.61 Favored 'Cis proline' 0 C--N 1.342 0.209 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.353 -0.024 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.2 mt -76.38 178.24 6.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.9 p -103.05 169.47 8.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.846 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.513 ' CD2' ' H ' ' A' ' 33' ' ' GLU . 0.6 OUTLIER -47.29 -49.1 24.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.843 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.513 ' H ' ' CD2' ' A' ' 32' ' ' HIS . 27.5 tt0 -56.13 -68.56 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 35' ' ' SER . 78.8 m -49.33 -58.47 5.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 34' ' ' CYS . 6.7 t -34.48 -53.9 0.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -73.0 -39.17 66.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.881 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 t 64.92 42.73 4.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.879 0.371 . . . . 0.0 110.906 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -131.71 149.25 52.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.865 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.59 137.04 6.34 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 6' ' ' SER . 39.0 p -137.72 167.04 22.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.927 0.394 . . . . 0.0 110.86 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 5' ' ' SER . 82.5 p -35.64 -49.28 0.56 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.834 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.62 151.49 20.6 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.465 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.1 p -127.55 120.11 27.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.932 0.396 . . . . 0.0 110.864 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 71.1 mt -52.85 111.93 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.4 mmt -87.49 178.29 6.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -79.15 11.2 2.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 81.1 t -99.16 132.2 44.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -72.19 150.13 44.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.1 t -52.23 142.03 17.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -38.59 -61.27 0.72 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 90.8 m -51.98 124.05 27.71 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.525 0.679 . . . . 0.0 111.125 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -1.19 8.06 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.704 2.269 . . . . 0.0 112.37 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -107.09 -17.89 14.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 9.1 t -84.79 110.31 26.88 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.629 0.728 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -8.99 25.01 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.665 2.243 . . . . 0.0 112.362 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -84.0 154.38 23.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -89.82 159.01 17.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.5 ptp -94.6 127.45 40.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.71 176.26 7.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.6 t -77.01 -19.89 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.118 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -109.73 -2.88 17.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 30' ' ' LEU . 34.4 p -111.54 -21.68 11.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.141 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.538 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 10.1 pt20 -51.96 151.52 6.45 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.628 0.728 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.5 Cg_endo -69.78 -17.29 12.04 Favored 'Cis proline' 0 C--O 1.232 0.193 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.382 -0.02 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 27' ' ' THR . 89.0 mt -81.05 170.72 15.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.6 p -101.92 178.55 4.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.826 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -56.31 -39.84 73.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.818 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -64.08 -65.92 0.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 35' ' ' SER . 56.7 m -56.91 -53.67 55.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 34' ' ' CYS . 28.1 t -35.81 -68.15 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 37' ' ' ARG . 12.1 pt-20 -57.53 -43.13 84.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.429 ' N ' ' HG3' ' A' ' 36' ' ' GLU . 34.6 mtp85 -52.26 -39.43 60.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -71.64 -43.6 65.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.7 tm0? -41.06 -47.55 3.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -43.36 -45.14 5.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -40.45 -53.36 2.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -99.93 126.4 46.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.935 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -137.92 142.63 40.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 53.1 p -101.77 15.13 29.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.34 -160.32 53.07 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.442 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 134.33 27.77 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.651 2.234 . . . . 0.0 112.376 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.3 p -46.46 -47.86 19.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.2 t -52.25 -52.81 50.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.89 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.523 179.959 . . . . . . . . 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 1.452 -0.271 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.0 m -65.1 116.78 6.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.909 0.385 . . . . 0.0 110.811 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.8 m -80.88 121.33 25.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.832 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.14 104.29 0.94 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.461 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 p -52.81 -21.19 3.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.939 0.399 . . . . 0.0 110.9 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 p -97.34 -55.76 2.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.839 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.05 -178.32 38.78 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.513 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.9 m -135.17 119.78 18.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.887 0.375 . . . . 0.0 110.857 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 31.1 mt -54.78 107.24 0.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 25.4 mtp -68.97 172.73 6.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -89.04 12.6 15.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.446 ' CG2' ' HE2' ' A' ' 23' ' ' MET . 7.7 p -112.39 139.61 36.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -65.98 151.71 46.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.5 t -52.7 142.01 19.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -38.57 -55.34 1.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 87.6 m -52.18 124.33 30.11 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.538 0.685 . . . . 0.0 111.116 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 0.21 5.97 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.662 2.241 . . . . 0.0 112.33 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -115.17 -9.17 12.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.2 t -95.51 108.94 42.84 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.592 0.711 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -16.36 37.61 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.686 2.257 . . . . 0.0 112.326 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -70.36 146.35 50.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -82.08 155.25 25.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.446 ' HE2' ' CG2' ' A' ' 12' ' ' VAL . 0.8 OUTLIER -96.22 119.28 34.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.5 m -70.47 177.36 3.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 62.8 t -75.65 -24.82 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.115 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -102.94 -1.33 29.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.466 HG22 ' CA ' ' A' ' 32' ' ' HIS . 38.5 p -114.68 -23.81 9.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.526 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 24.5 pt20 -52.41 152.04 6.75 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.602 0.715 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.7 Cg_endo -69.74 -10.21 11.35 Favored 'Cis proline' 0 C--O 1.232 0.205 0 C-N-CA 122.751 -1.77 . . . . 0.0 112.323 0.011 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 27' ' ' THR . 77.0 mt -87.67 175.69 7.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.5 ' O ' ' N ' ' A' ' 34' ' ' CYS . 15.7 p -106.84 149.45 27.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.466 ' CA ' HG22 ' A' ' 27' ' ' THR . 2.5 t-160 -34.72 -50.35 0.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -54.02 -42.66 69.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.5 ' N ' ' O ' ' A' ' 31' ' ' CYS . 57.1 m -78.7 -58.11 3.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 34' ' ' CYS . 13.4 t -34.21 -56.71 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 37' ' ' ARG . 12.2 pt-20 -49.92 -41.69 46.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 34' ' ' CYS . 26.1 mmm180 -61.96 -46.35 89.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 39' ' ' GLN . 23.6 mmm-85 -61.22 -60.39 3.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 38' ' ' ARG . 9.8 mm-40 -37.17 -48.98 0.88 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.3 tttp -94.86 114.85 26.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -155.04 130.0 9.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.0 mp0 -70.86 -56.57 6.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -46.7 -54.13 10.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.8 m -63.2 159.04 18.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -159.38 83.58 0.13 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.449 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 160.53 49.34 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.669 2.246 . . . . 0.0 112.354 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 54.9 p -107.41 144.7 33.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.842 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.1 t -55.32 -56.0 25.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.174 -0.792 . . . . 0.0 112.479 -179.973 . . . . . . . . 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 -0.301 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.8 t -84.55 127.35 34.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.893 0.378 . . . . 0.0 110.852 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.9 m -117.84 175.87 5.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.841 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.63 59.85 3.14 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.464 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 6' ' ' SER . 42.9 m -67.23 -45.6 76.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.897 0.379 . . . . 0.0 110.88 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 5' ' ' SER . 1.5 t -38.02 -54.82 1.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -47.73 124.01 9.57 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.449 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.7 t -133.78 145.86 50.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.885 0.374 . . . . 0.0 110.894 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 36.5 mt -74.71 138.79 43.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.0 mmt -96.87 167.58 11.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.8 p30 -83.23 15.38 2.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.7 p -111.79 134.97 52.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -64.03 156.56 27.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.6 t -61.06 145.67 50.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.461 ' N ' ' HE3' ' A' ' 23' ' ' MET . 10.8 tp10 -40.23 -58.55 1.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 58.8 m -51.96 124.97 30.22 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.543 0.687 . . . . 0.0 111.145 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 3.15 2.95 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.649 2.233 . . . . 0.0 112.332 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -115.58 -14.29 11.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 11.4 t -90.74 111.76 49.62 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.646 0.736 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -16.8 37.62 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.697 2.265 . . . . 0.0 112.366 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -60.77 170.84 1.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -111.33 154.41 24.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.461 ' HE3' ' N ' ' A' ' 15' ' ' GLU . 3.3 mtt -74.3 119.67 18.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.927 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.438 ' CB ' ' OG1' ' A' ' 27' ' ' THR . 1.0 OUTLIER -77.6 176.82 8.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.849 -179.791 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 88.2 t -82.79 -22.34 8.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.116 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -114.23 0.24 14.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.438 ' OG1' ' CB ' ' A' ' 24' ' ' SER . 32.7 p -113.91 -14.9 12.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.537 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 13.8 pt20 -52.69 148.23 13.52 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.588 0.708 . . . . 0.0 110.953 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 54.1 Cg_endo -69.73 -25.08 8.22 Favored 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.383 -0.014 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 24.8 mt -68.18 176.88 2.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 12.9 p -106.23 178.22 4.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.856 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.485 ' CD2' ' OE1' ' A' ' 36' ' ' GLU . 2.6 t-160 -55.83 -52.97 62.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.801 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -50.77 -58.95 4.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.462 ' O ' ' C ' ' A' ' 35' ' ' SER . 72.2 m -61.61 -63.27 1.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 34' ' ' CYS . 4.1 t -33.33 -64.01 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.485 ' OE1' ' CD2' ' A' ' 32' ' ' HIS . 9.1 pt-20 -64.17 -43.9 93.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 -47.03 -55.96 7.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.8 ttp85 -56.82 -61.69 2.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 22.7 mm100 -40.44 -61.43 0.92 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.2 tptm -41.79 -62.96 0.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -77.74 108.34 10.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.925 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -102.93 132.37 49.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -66.37 159.16 27.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.1 p -74.8 154.31 38.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.21 153.66 20.66 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.497 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 127.55 14.82 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.718 2.279 . . . . 0.0 112.342 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.2 m 61.02 42.16 13.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.84 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 49' ' ' GLY . 1.9 t -46.59 -52.91 12.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 48' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.267 0 CA-C-O 119.174 -0.792 . . . . 0.0 112.518 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.4 p -125.32 173.65 8.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.81 0.338 . . . . 0.0 110.893 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 t -86.46 -49.06 7.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.87 -118.45 4.46 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.445 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.2 p -116.84 120.97 40.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.895 0.379 . . . . 0.0 110.832 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.9 p -151.37 119.28 6.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.6 -159.97 35.89 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.508 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.3 t -157.86 123.19 4.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.945 0.402 . . . . 0.0 110.814 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.02 107.19 0.69 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.7 mmt -73.54 167.55 21.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -82.44 12.83 4.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.8 t -103.22 135.69 39.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.15 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -65.15 149.48 49.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 15' ' ' GLU . 13.2 t -53.59 140.68 27.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 14' ' ' CYS . 13.2 tp10 -36.58 -58.94 0.7 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.406 ' CG2' ' H ' ' A' ' 18' ' ' ASN . 54.4 m -52.04 124.9 30.63 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.564 0.697 . . . . 0.0 111.17 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 0.75 5.25 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.645 2.23 . . . . 0.0 112.306 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.406 ' H ' ' CG2' ' A' ' 16' ' ' THR . 27.5 m120 -115.09 -2.23 12.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.7 t -103.89 107.57 57.18 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.637 0.732 . . . . 0.0 110.914 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 -14.0 35.26 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.719 2.279 . . . . 0.0 112.308 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -70.29 145.02 51.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -84.35 145.57 28.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -89.81 125.35 35.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.414 ' N ' ' OG1' ' A' ' 27' ' ' THR . 40.1 m -75.54 178.04 6.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.7 t -74.86 -27.71 20.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -99.17 -3.2 34.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 30' ' ' LEU . 36.2 p -113.38 -25.99 8.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.181 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.527 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 5.1 pt20 -51.98 151.97 6.02 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.66 0.743 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 54.1 Cg_endo -69.72 -13.54 12.32 Favored 'Cis proline' 0 C--O 1.232 0.212 0 C-N-CA 122.657 -1.81 . . . . 0.0 112.375 -0.078 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 27' ' ' THR . 72.3 mt -83.52 169.91 14.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.457 ' O ' ' C ' ' A' ' 32' ' ' HIS . 13.9 p -105.65 153.1 22.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.457 ' C ' ' O ' ' A' ' 31' ' ' CYS . 2.0 t-160 -33.45 -55.85 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -50.35 -51.29 46.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 35' ' ' SER . 99.6 m -68.33 -61.51 1.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 34' ' ' CYS . 46.6 t -34.4 -63.15 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 37' ' ' ARG . 17.5 pt-20 -55.52 -47.38 76.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.43 ' N ' ' HG3' ' A' ' 36' ' ' GLU . 48.7 mtt-85 -53.75 -39.7 65.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.9 ttp180 -68.61 -55.21 12.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -44.69 -58.52 3.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -59.94 -44.64 94.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.18 -43.99 61.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.9 mm-40 -71.38 140.72 50.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.946 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -81.4 3.8 23.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.8 t -77.21 131.44 38.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.41 95.29 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -35.94 11.68 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.661 2.24 . . . . 0.0 112.344 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 75.7 m -45.67 -43.84 12.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.2 t -87.56 -46.05 9.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.495 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.7 p -104.69 142.29 34.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.872 0.367 . . . . 0.0 110.843 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 t -93.71 -59.54 1.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.822 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.85 -44.58 2.58 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.472 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 t -68.71 169.14 11.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.818 0.342 . . . . 0.0 110.872 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -75.79 -59.13 2.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.83 175.98 20.48 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.525 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.1 m -150.31 144.73 25.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.897 0.38 . . . . 0.0 110.877 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 74.3 mt -66.45 122.23 17.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.966 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 23.1 mtp -80.4 172.57 13.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -86.52 15.33 5.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.7 p -115.11 139.75 39.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -68.43 157.14 36.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.948 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 15' ' ' GLU . 32.4 t -57.8 138.36 55.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.867 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 14' ' ' CYS . 15.4 tp10 -34.46 -60.91 0.41 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.401 ' CG2' ' H ' ' A' ' 18' ' ' ASN . 52.6 m -52.07 124.64 30.2 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.541 0.686 . . . . 0.0 111.14 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -2.57 10.41 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.638 2.226 . . . . 0.0 112.331 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.401 ' H ' ' CG2' ' A' ' 16' ' ' THR . 5.0 t-20 -106.15 -16.95 14.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.0 t -88.47 110.16 34.53 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.605 0.717 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -15.52 37.29 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.695 2.263 . . . . 0.0 112.368 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -75.05 150.41 38.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -86.44 155.98 20.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.1 ptp -91.23 124.21 35.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.46 ' N ' ' OG1' ' A' ' 27' ' ' THR . 1.2 t -70.17 178.42 2.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.5 t -76.98 -27.81 16.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -104.98 1.09 28.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.46 ' OG1' ' N ' ' A' ' 24' ' ' SER . 40.5 p -111.77 -24.85 9.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.159 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.524 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 11.6 pt20 -52.03 152.56 5.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.623 0.725 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.6 Cg_endo -69.81 -11.14 11.91 Favored 'Cis proline' 0 C--O 1.232 0.213 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.344 0.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.457 ' O ' ' C ' ' A' ' 27' ' ' THR . 62.3 mt -86.4 170.73 11.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.915 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.4 ' O ' ' C ' ' A' ' 32' ' ' HIS . 11.6 p -103.77 159.11 15.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.5 ' CD2' ' C ' ' A' ' 32' ' ' HIS . 1.0 OUTLIER -38.52 -52.53 1.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.825 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.12 -59.92 3.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 75.0 m -62.04 -63.02 1.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.8 t -43.62 -26.74 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -86.05 -63.24 1.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -46.76 -36.3 7.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.441 ' NE ' ' CD1' ' A' ' 30' ' ' LEU . 11.9 mtm180 -66.46 -46.57 75.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -47.02 -59.09 3.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.952 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.6 tttp -50.8 -42.02 57.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -65.16 -43.33 92.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -47.42 -56.24 7.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -141.81 124.34 15.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 77.2 p -97.81 164.84 12.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.11 -76.57 0.51 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 86.7 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.702 2.268 . . . . 0.0 112.359 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 25.1 m -67.98 -61.31 1.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.8 p 53.95 39.6 30.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.808 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.459 -179.97 . . . . . . . . 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 -0.345 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.2 p -49.87 -43.56 49.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.913 0.387 . . . . 0.0 110.891 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t 53.18 41.82 32.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.01 62.43 4.19 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.509 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.4 m -151.69 164.59 36.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.88 0.371 . . . . 0.0 110.824 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.6 p -48.73 -45.11 39.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.857 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.42 138.39 5.35 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.497 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.0 t -120.38 125.87 49.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 110.868 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.4 mt -55.57 116.46 2.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.2 mmm -89.25 173.48 8.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -77.08 5.57 7.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.0 t -88.02 128.54 40.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -65.32 145.0 56.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 15' ' ' GLU . 32.5 t -51.98 144.34 12.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.875 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 14' ' ' CYS . 4.9 tm-20 -35.05 -61.0 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 52.3 m -57.88 124.66 70.31 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.627 0.727 . . . . 0.0 111.141 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 0.22 5.97 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.697 2.265 . . . . 0.0 112.351 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -107.26 -21.3 13.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.8 t -78.56 112.73 28.77 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.649 0.738 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -4.19 13.5 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.677 2.251 . . . . 0.0 112.358 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -89.42 155.32 19.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -92.7 153.47 18.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.86 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -87.72 128.08 35.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 t -74.61 177.73 5.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 86.3 t -77.71 -26.04 14.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.1 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -106.01 -0.33 25.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.6 p -112.74 -19.03 12.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.156 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.543 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 3.4 pt20 -52.76 151.19 8.52 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.533 0.682 . . . . 0.0 110.959 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.7 Cg_endo -69.76 -22.76 9.44 Favored 'Cis proline' 0 C--O 1.232 0.213 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.317 0.031 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.5 mt -74.34 174.18 9.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 12.2 p -106.22 177.98 4.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -54.79 -52.51 62.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -52.31 -63.8 1.02 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.429 ' O ' ' N ' ' A' ' 37' ' ' ARG . 80.8 m -56.44 -61.01 2.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.5 t -42.53 -38.28 1.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -65.24 -37.74 88.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 34' ' ' CYS . 30.1 mmm180 -64.75 -41.31 96.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 39' ' ' GLN . 34.4 mtp180 -68.87 -45.62 70.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 38' ' ' ARG . 13.3 tm0? -37.2 -49.93 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.944 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.82 -59.18 2.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -43.23 -64.12 0.69 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -84.12 158.84 21.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -154.17 173.47 16.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.5 t -102.03 130.29 48.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.42 -157.94 8.75 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.458 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 140.29 42.39 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.72 2.28 . . . . 0.0 112.325 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.6 p -94.3 7.48 45.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 79.6 p -80.17 134.29 36.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.449 -179.982 . . . . . . . . 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 1.452 -0.278 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.7 m -109.19 157.67 18.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.912 0.387 . . . . 0.0 110.814 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 t -95.47 137.65 34.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.865 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.41 52.77 0.21 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -112.57 151.9 29.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.888 0.375 . . . . 0.0 110.871 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.4 t -85.49 -48.96 8.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.49 104.59 0.36 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.505 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.2 t -101.89 122.53 44.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.909 0.385 . . . . 0.0 110.902 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.4 mt -56.07 105.0 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.3 mtp -75.05 174.5 9.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -85.02 8.56 17.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.462 HG11 ' CE ' ' A' ' 23' ' ' MET . 36.2 t -90.97 126.39 43.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -60.84 142.45 56.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 15' ' ' GLU . 40.1 t -52.19 137.99 26.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 14' ' ' CYS . 2.5 tm-20 -35.06 -56.15 0.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 99.3 m -54.49 123.39 43.54 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.564 0.697 . . . . 0.0 111.163 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 0.41 5.66 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.693 2.262 . . . . 0.0 112.353 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -113.54 -9.51 13.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.8 t -93.47 108.74 35.95 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.637 0.732 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -12.16 32.39 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.707 2.272 . . . . 0.0 112.348 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -76.88 149.6 36.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -84.43 155.19 22.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.462 ' CE ' HG11 ' A' ' 12' ' ' VAL . 0.9 OUTLIER -92.93 126.3 37.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.8 t -72.45 178.6 3.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 84.4 t -78.38 -21.86 13.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.099 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -108.84 -4.57 16.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 30' ' ' LEU . 43.6 p -107.48 -20.87 13.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.54 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 4.1 pt20 -54.27 151.35 13.64 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.628 0.728 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.7 Cg_endo -69.78 -15.08 12.55 Favored 'Cis proline' 0 C--N 1.342 0.211 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.345 0.025 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 27' ' ' THR . 79.5 mt -81.07 173.89 12.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 10.5 p -104.6 175.43 5.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -49.27 -56.96 7.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -53.63 -68.0 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 37' ' ' ARG . 72.3 m -49.32 -64.16 0.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.6 t -39.48 -37.09 0.43 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -78.81 -40.8 31.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 34' ' ' CYS . 2.3 mmp_? -50.66 -40.99 54.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -79.37 -46.17 18.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 40' ' ' LYS . 26.0 mt-30 -41.27 -60.66 1.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 39' ' ' GLN . 78.4 tttt -35.63 -51.35 0.65 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 32.7 t-20 -80.21 124.53 28.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -77.56 130.37 36.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -108.21 6.67 26.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.9 p -49.93 -52.24 34.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.87 -94.98 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 99.52 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.644 2.229 . . . . 0.0 112.347 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 55.9 p -80.92 131.81 35.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 98.3 p -82.37 -45.71 14.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.835 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 CA-C-O 119.076 -0.847 . . . . 0.0 112.555 -179.956 . . . . . . . . 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 -0.302 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.2 p -136.12 150.58 49.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.903 0.382 . . . . 0.0 110.887 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -95.15 135.45 36.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.847 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.41 -177.7 18.1 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.529 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.6 t -79.8 134.48 36.35 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.85 0.357 . . . . 0.0 110.898 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.8 p -97.74 173.96 6.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.807 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.25 58.72 0.13 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.479 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.0 t -123.17 135.6 54.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.877 0.37 . . . . 0.0 110.901 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.2 mt -53.48 121.94 8.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.937 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 32.8 mmm -90.27 177.56 6.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -81.74 13.5 3.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.458 HG11 ' CG ' ' A' ' 23' ' ' MET . 8.2 p -109.3 128.22 65.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -62.71 153.36 32.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 15' ' ' GLU . 24.7 t -52.97 143.45 17.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 14' ' ' CYS . 26.1 tt0 -35.79 -59.98 0.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.6 m -56.69 123.75 59.44 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.534 0.683 . . . . 0.0 111.164 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 1.35 4.53 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.627 2.218 . . . . 0.0 112.315 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -108.04 -24.88 11.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.857 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.8 t -72.76 112.31 14.71 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.63 0.728 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 0.85 4.98 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.686 2.257 . . . . 0.0 112.371 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.401 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 80.9 m-85 -101.68 153.31 19.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -89.42 160.92 16.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.458 ' CG ' HG11 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -93.97 128.75 40.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.893 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.95 176.16 5.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 70.0 t -76.07 -23.94 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 -106.73 -1.23 22.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 31.5 p -112.12 -20.63 11.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.539 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 7.6 pt20 -52.11 151.41 6.87 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.603 0.716 . . . . 0.0 110.887 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.7 Cg_endo -69.81 -20.62 10.72 Favored 'Cis proline' 0 C--O 1.232 0.215 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.36 0.035 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.8 mt -77.57 173.52 11.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.8 p -105.12 177.67 4.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -51.54 -53.4 38.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -53.99 -68.0 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 37' ' ' ARG . 47.8 m -54.2 -63.23 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.3 t -40.65 -40.46 1.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -78.65 -32.48 47.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 34' ' ' CYS . 20.0 ttm180 -67.33 -40.48 85.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.5 ttm180 -59.21 -40.82 87.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -78.44 -42.41 30.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -53.5 -43.48 68.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -95.95 175.51 6.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.34 130.53 39.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -83.35 -62.76 1.5 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.7 m -73.05 -56.05 5.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 129.67 149.96 6.89 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.47 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 113.17 3.29 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.663 2.242 . . . . 0.0 112.296 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.1 t -97.65 146.08 25.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.2 m -46.77 -46.5 20.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.451 -179.999 . . . . . . . . 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 1.452 -0.285 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 m -135.49 161.27 35.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.914 0.387 . . . . 0.0 110.817 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.6 p -58.26 175.46 0.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.84 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.46 58.84 0.56 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.542 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.5 t -129.25 164.39 23.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.932 0.396 . . . . 0.0 110.864 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.9 p -121.02 176.25 5.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.91 164.25 13.27 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.473 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.9 t -133.67 143.09 48.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.934 0.397 . . . . 0.0 110.859 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 71.7 mt -72.23 113.26 9.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 24.3 mtp -71.82 172.7 9.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -90.94 16.39 9.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.834 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.445 HG13 ' CG ' ' A' ' 23' ' ' MET . 9.2 p -116.55 135.18 57.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.075 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -62.01 151.32 35.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 15' ' ' GLU . 41.4 t -54.65 136.34 45.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.871 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 14' ' ' CYS . 3.9 tp10 -34.03 -56.54 0.48 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 69.2 m -52.01 124.19 28.39 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.559 0.695 . . . . 0.0 111.158 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -7.0 19.94 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.657 2.238 . . . . 0.0 112.348 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -106.63 -5.06 18.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.2 t -99.72 105.82 36.55 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.607 0.718 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -10.55 28.9 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.703 2.268 . . . . 0.0 112.389 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -79.11 146.89 32.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -81.09 153.46 27.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.445 ' CG ' HG13 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -94.12 121.64 35.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.451 ' N ' ' OG1' ' A' ' 27' ' ' THR . 2.7 m -70.86 178.05 3.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 84.2 t -76.0 -25.86 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.108 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -101.59 1.86 38.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.451 ' OG1' ' N ' ' A' ' 24' ' ' SER . 70.9 p -116.47 -25.43 7.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.526 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 20.1 pt20 -52.09 151.53 6.7 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.621 0.724 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.3 Cg_endo -69.85 -6.06 9.35 Favored 'Cis proline' 0 C--O 1.232 0.219 0 C-N-CA 122.741 -1.775 . . . . 0.0 112.262 0.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' A' ' 27' ' ' THR . 83.3 mt -91.75 178.05 6.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.2 p -107.71 178.1 4.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -54.47 -43.68 71.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -61.29 -67.97 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 48.5 m -53.96 -55.68 24.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.6 t -51.21 -31.39 20.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -78.14 -56.59 4.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -55.86 -33.97 65.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.85 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -69.36 -51.35 37.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.448 ' NE2' ' HA ' ' A' ' 39' ' ' GLN . 7.5 mm-40 -40.64 -46.67 2.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -36.85 -45.8 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -42.04 -46.63 4.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.453 HE22 ' N ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER 62.51 44.4 7.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -54.39 -48.05 72.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.1 m -136.68 128.59 29.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.453 ' N ' HE22 ' A' ' 42' ' ' GLN . . . -64.14 -66.61 2.42 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.521 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 88.51 0.54 Allowed 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.694 2.263 . . . . 0.0 112.39 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 56.1 p -91.96 -53.77 4.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.1 t -130.55 126.64 37.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 CA-C-O 119.084 -0.842 . . . . 0.0 112.52 -179.954 . . . . . . . . 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 1.452 -0.261 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.2 p -156.71 146.74 21.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.879 0.371 . . . . 0.0 110.864 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.4 p -116.44 127.34 54.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.792 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.51 -90.26 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.526 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m 54.36 41.62 31.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.901 0.382 . . . . 0.0 110.866 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -88.27 -58.66 2.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.53 160.6 31.53 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.503 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 72.4 m -110.8 122.1 46.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.874 0.368 . . . . 0.0 110.861 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 75.6 mt -58.24 109.78 0.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 19.7 mmm -64.68 174.21 1.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -83.19 6.21 20.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.462 HG12 ' CG ' ' A' ' 23' ' ' MET . 14.5 p -105.94 136.34 40.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -64.97 152.42 43.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.438 ' O ' ' C ' ' A' ' 15' ' ' GLU . 31.7 t -52.38 140.59 21.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.891 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 14' ' ' CYS . 27.7 tp10 -34.0 -63.93 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 82.2 m -52.93 123.52 33.01 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.579 0.704 . . . . 0.0 111.104 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -0.49 6.99 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.63 2.22 . . . . 0.0 112.363 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -105.02 -22.7 13.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 11.0 t -76.64 111.78 18.01 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.661 0.743 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 2.96 3.07 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.713 2.275 . . . . 0.0 112.304 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.424 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 81.6 m-85 -103.8 156.33 17.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.925 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -91.4 160.19 15.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.462 ' CG ' HG12 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -91.83 126.88 37.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.6 t -73.34 178.41 4.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.879 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.7 t -77.99 -20.39 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -108.67 -6.04 16.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 30' ' ' LEU . 55.8 p -107.82 -19.19 13.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.535 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 8.2 pt20 -52.56 151.45 7.77 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.593 0.711 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.4 Cg_endo -69.71 -15.01 12.45 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.658 -1.809 . . . . 0.0 112.349 -0.036 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 27' ' ' THR . 75.3 mt -84.59 177.33 8.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 10.2 p -106.0 177.49 4.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -54.72 -50.73 67.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -52.99 -58.7 6.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 35' ' ' SER . 65.8 m -62.44 -64.67 0.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 34' ' ' CYS . 12.1 t -38.26 -42.72 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -77.68 -40.55 41.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -56.77 -46.22 81.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.822 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.7 ttt-85 -70.95 -44.35 66.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.832 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -43.86 -53.48 6.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.93 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -50.22 -51.98 39.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -68.86 128.93 38.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -59.91 146.2 43.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -166.45 165.47 17.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.5 t -55.53 124.62 17.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 152.16 -156.7 26.85 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 98.99 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.7 2.267 . . . . 0.0 112.379 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 81.5 p -83.48 12.56 5.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 89.0 p -125.29 119.09 27.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.827 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.154 -0.804 . . . . 0.0 112.514 -179.989 . . . . . . . . 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 1.451 -0.35 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 m -131.36 130.95 43.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.88 0.371 . . . . 0.0 110.892 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.8 m -46.32 -56.73 5.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.68 79.69 0.23 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.433 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -58.53 -57.09 14.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.364 . . . . 0.0 110.824 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.5 m 59.85 40.57 19.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.8 112.64 0.26 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.0 t -104.16 123.2 46.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.913 0.387 . . . . 0.0 110.865 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.3 mt -54.83 104.96 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.4 mtp -75.82 175.67 8.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -85.58 12.71 8.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.3 t -96.62 122.16 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -56.4 144.87 29.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.438 ' O ' ' C ' ' A' ' 15' ' ' GLU . 15.9 t -52.26 141.0 20.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 14' ' ' CYS . 33.6 tt0 -34.41 -60.93 0.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 83.0 m -54.32 123.82 44.35 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.633 0.73 . . . . 0.0 111.151 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 0.19 6.02 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.706 2.271 . . . . 0.0 112.342 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -110.72 -9.37 14.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.1 t -93.03 109.05 37.02 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.638 0.733 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -2.1 9.56 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.726 2.284 . . . . 0.0 112.373 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -88.09 148.69 24.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -87.01 149.86 24.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -90.4 125.94 35.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.1 t -73.3 178.83 4.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.7 t -77.97 -18.3 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.138 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -108.68 -7.47 15.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.461 HG21 ' CA ' ' A' ' 32' ' ' HIS . 59.6 p -106.9 -21.54 12.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.207 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.534 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 3.3 pt20 -52.52 151.49 7.64 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.63 0.728 . . . . 0.0 110.877 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.9 Cg_endo -69.73 -13.57 12.34 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.337 -0.04 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 27' ' ' THR . 72.2 mt -84.78 175.05 9.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.941 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 34' ' ' CYS . 15.2 p -108.59 149.95 28.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.494 ' CD2' ' H ' ' A' ' 33' ' ' GLU . 3.4 p80 -35.17 -48.64 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.494 ' H ' ' CD2' ' A' ' 32' ' ' HIS . 2.1 mm-40 -54.5 -42.88 71.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 37' ' ' ARG . 92.6 m -80.67 -57.74 3.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 34' ' ' CYS . 8.3 t -33.0 -52.92 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 37' ' ' ARG . 11.0 pt-20 -54.88 -45.43 74.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 34' ' ' CYS . 0.4 OUTLIER -57.11 -48.5 78.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.819 -179.869 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.9 tpt85 -69.31 -30.29 68.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 40' ' ' LYS . 16.6 tt0 -74.75 -66.42 0.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 41' ' ' ASN . 11.2 pttp -37.31 -41.28 0.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 40' ' ' LYS . 28.5 t-20 -36.9 -61.49 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -60.7 129.56 42.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -104.76 104.66 14.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.9 t -116.33 164.06 15.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -39.45 138.59 1.03 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.514 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 124.02 10.68 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.738 2.292 . . . . 0.0 112.336 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.1 m -112.87 106.8 15.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.4 t -62.54 152.58 34.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.513 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.5 p -111.72 143.49 42.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.373 . . . . 0.0 110.833 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.9 m -40.78 -55.36 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.832 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.16 -39.12 1.77 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t 56.72 39.11 29.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.901 0.381 . . . . 0.0 110.858 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.7 p -101.1 119.11 38.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.67 156.46 15.55 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.53 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -118.09 121.55 40.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.901 0.381 . . . . 0.0 110.909 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 99.5 mt -55.98 107.99 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.6 mmt -73.63 178.14 4.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -88.85 13.09 13.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.0 p -108.36 127.0 65.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -58.3 152.62 17.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.418 ' O ' ' C ' ' A' ' 15' ' ' GLU . 41.4 t -54.71 144.43 22.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.847 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 14' ' ' CYS . 14.5 tm-20 -36.74 -60.57 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 79.0 m -52.87 123.74 33.42 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.622 0.725 . . . . 0.0 111.148 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 -1.78 9.08 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.643 2.229 . . . . 0.0 112.317 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 73.9 m-80 -109.78 -6.11 15.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.4 t -94.3 110.91 51.32 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.643 0.735 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -15.7 37.2 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.656 2.238 . . . . 0.0 112.382 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -80.24 148.07 30.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -83.7 160.6 21.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -100.74 122.11 42.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.447 ' N ' ' OG1' ' A' ' 27' ' ' THR . 2.4 m -70.62 178.26 3.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 48.9 t -75.96 -21.53 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -104.12 -4.45 23.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.456 ' C ' ' O ' ' A' ' 30' ' ' LEU . 64.4 p -110.96 -24.91 10.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.182 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.529 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 3.5 pt20 -51.92 151.75 6.13 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.551 0.691 . . . . 0.0 110.949 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.9 Cg_endo -69.73 -12.45 12.13 Favored 'Cis proline' 0 C--O 1.232 0.202 0 C-N-CA 122.649 -1.813 . . . . 0.0 112.391 -0.051 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.456 ' O ' ' C ' ' A' ' 27' ' ' THR . 80.0 mt -86.56 175.66 8.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 35' ' ' SER . 10.6 p -104.47 178.71 4.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -54.83 -45.78 74.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -62.3 -69.3 0.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 35' ' ' SER . 60.7 m -52.39 -53.41 45.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 31' ' ' CYS . 28.2 t -35.61 -67.41 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.53 ' CD ' ' N ' ' A' ' 37' ' ' ARG . 1.9 pp20? -65.45 -41.69 93.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.858 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.53 ' N ' ' CD ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -42.26 -45.5 4.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 24.7 ttp85 -64.01 -59.8 4.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -43.58 -43.33 5.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -45.72 -48.75 15.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.439 ' C ' ' OD1' ' A' ' 41' ' ' ASN . 11.1 p-10 -60.17 167.64 2.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.873 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -64.84 174.9 1.67 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -143.04 152.92 42.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.8 m 62.45 43.31 8.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -113.82 -107.23 2.76 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -48.99 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.254 . . . . 0.0 112.355 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.3 m -100.31 130.04 46.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 86.8 p -93.57 106.44 18.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.535 -179.963 . . . . . . . . 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 1.452 -0.276 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 m -106.16 136.09 46.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.906 0.384 . . . . 0.0 110.886 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.2 m -55.08 148.9 12.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.31 99.8 1.22 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.528 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 t -94.16 -57.24 2.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.937 0.398 . . . . 0.0 110.848 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.8 m -99.43 141.01 32.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.41 52.12 53.46 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.431 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.4 t -100.09 161.66 13.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.906 0.384 . . . . 0.0 110.855 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.5 mt -83.49 144.41 29.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 12.6 mmt -100.54 160.09 14.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -82.22 17.91 1.54 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.3 t -108.72 130.14 62.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -59.23 152.76 19.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 15' ' ' GLU . 14.8 t -57.87 138.76 55.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.871 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 14' ' ' CYS . 34.5 tp10 -34.29 -51.28 0.44 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 99.0 m -57.21 123.96 63.58 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.54 0.686 . . . . 0.0 111.158 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -0.92 7.56 Favored 'Trans proline' 0 C--N 1.34 0.116 0 C-N-CA 122.714 2.276 . . . . 0.0 112.338 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -114.71 -13.34 12.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.3 t -89.21 110.54 39.21 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.62 0.724 . . . . 0.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -6.26 18.18 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.687 2.258 . . . . 0.0 112.341 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -70.54 172.58 8.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -113.06 153.04 28.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.7 mtt -74.47 126.96 31.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 t -91.23 155.91 18.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.862 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 86.6 t -68.9 -11.82 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.161 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -118.04 -6.21 10.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.5 p -117.82 -13.89 10.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.528 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 21.8 pt20 -53.65 151.35 11.29 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.637 0.732 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.7 Cg_endo -69.76 -21.41 10.23 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.711 -1.787 . . . . 0.0 112.37 -0.008 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.6 mt -73.37 176.6 5.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 34' ' ' CYS . 2.8 p -113.38 157.04 22.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.638 ' N ' ' CD2' ' A' ' 32' ' ' HIS . 0.0 OUTLIER -38.75 -66.4 0.28 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 179.93 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.492 ' H ' ' CD2' ' A' ' 32' ' ' HIS . 3.7 tp10 -39.12 -31.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.903 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 37' ' ' ARG . 68.2 m -89.13 -65.74 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 34' ' ' CYS . 2.5 t -35.1 -33.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 34' ' ' CYS . 20.5 pt-20 -72.44 -47.05 52.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 34' ' ' CYS . 17.9 ptt180 -69.31 -35.31 75.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 28.7 ttm-85 -64.87 -37.81 88.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 39.5 tp60 -76.16 -42.64 45.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -40.8 -40.95 1.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -101.91 173.53 6.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -126.04 143.91 50.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -114.19 141.35 47.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 63.1 m -74.61 -42.71 58.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.98 107.31 3.48 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.45 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 159.41 53.53 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.691 2.261 . . . . 0.0 112.367 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 31.0 t -102.93 159.2 15.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.9 p -62.69 -49.31 75.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.174 -0.792 . . . . 0.0 112.506 -179.984 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 1' ' ' GLY . 27.9 m -34.8 -61.19 0.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 0.0 110.816 -179.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.1 p -112.82 133.98 54.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.9 -73.91 0.29 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.495 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m 57.79 40.39 26.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.87 0.367 . . . . 0.0 110.843 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t -70.78 156.21 39.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.834 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.5 -177.35 20.77 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 62.8 m -101.44 150.52 22.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.877 0.37 . . . . 0.0 110.879 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.464 HD21 ' CE1' ' A' ' 32' ' ' HIS . 81.6 mt -82.98 113.56 20.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.932 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.4 mmt -69.54 163.74 24.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -84.94 17.99 2.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 25.0 t -110.73 140.6 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -68.26 157.56 35.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.0 t -61.12 144.98 52.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.474 ' N ' ' HE1' ' A' ' 23' ' ' MET . 38.7 tt0 -41.83 -54.0 3.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.2 m -52.02 126.24 33.98 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.554 0.692 . . . . 0.0 111.174 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -1.63 8.78 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.692 2.261 . . . . 0.0 112.37 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -118.0 6.89 12.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 20' ' ' PRO . 8.9 t -113.38 106.99 53.99 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.653 0.74 . . . . 0.0 110.892 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 19' ' ' CYS . 53.2 Cg_endo -69.84 -16.29 37.17 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.686 2.258 . . . . 0.0 112.348 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.602 ' CE2' ' OE1' ' A' ' 33' ' ' GLU . 40.2 m-85 -56.0 160.23 2.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -101.34 147.91 25.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.474 ' HE1' ' N ' ' A' ' 15' ' ' GLU . 3.1 mtt -73.42 140.12 46.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.852 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.79 157.64 16.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.5 t -68.39 -10.86 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.401 ' O ' ' OD1' ' A' ' 26' ' ' ASN . 6.9 t-20 -117.29 -14.49 10.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.6 p -108.98 -13.92 14.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.525 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 11.5 mt-30 -55.54 152.38 17.94 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.623 0.725 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.8 Cg_endo -69.7 -22.68 9.44 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.367 -0.05 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 62.7 mt -73.05 175.5 6.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.462 ' O ' ' C ' ' A' ' 32' ' ' HIS . 8.4 p -106.92 148.9 28.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.673 ' N ' ' CD2' ' A' ' 32' ' ' HIS . 0.0 OUTLIER -31.99 -56.7 0.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.836 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.602 ' OE1' ' CE2' ' A' ' 21' ' ' PHE . 6.6 mt-10 -47.88 -51.01 24.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 36' ' ' GLU . 84.3 m -77.83 -63.35 1.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.48 ' C ' ' O ' ' A' ' 34' ' ' CYS . 84.0 p -32.05 -37.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.843 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 34' ' ' CYS . 20.0 pt-20 -90.04 -42.41 11.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 34' ' ' CYS . 29.2 ttt180 -51.76 -39.76 59.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 46.5 ttt180 -63.78 -55.4 23.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -40.92 -47.17 2.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.9 tptp -49.32 -58.39 5.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -83.78 131.76 34.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -83.93 145.2 28.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.952 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -162.95 162.89 26.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.5 t 58.6 45.29 16.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -130.56 -83.64 0.3 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.477 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 3.1 2.96 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.69 2.26 . . . . 0.0 112.345 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.9 p -80.96 138.04 36.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 59.7 p -61.24 126.49 27.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.098 -0.835 . . . . 0.0 112.524 179.984 . . . . . . . . 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 -0.312 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t -144.54 170.61 15.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.899 0.38 . . . . 0.0 110.858 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.1 p -148.87 150.33 32.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.34 -105.29 0.46 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.534 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.0 m -47.42 -48.21 26.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.844 0.354 . . . . 0.0 110.855 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.0 t -60.15 -53.8 53.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.15 165.31 33.97 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.468 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.1 t -138.3 121.0 16.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.925 0.393 . . . . 0.0 110.852 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 75.8 mt -52.73 116.75 2.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.1 mtp -79.78 175.46 10.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.0 p-10 -84.68 16.89 2.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.5 t -107.14 154.46 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.523 ' CE ' ' N ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -81.98 145.79 30.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 15' ' ' GLU . 35.4 t -52.87 142.41 19.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 14' ' ' CYS . 28.6 tp10 -35.08 -53.85 0.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 88.6 m -60.71 122.68 70.15 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.602 0.715 . . . . 0.0 111.116 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 0.89 5.04 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.653 2.236 . . . . 0.0 112.317 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -112.96 -9.17 13.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 33.8 t -90.39 109.9 37.02 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.658 0.742 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -1.08 7.84 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.737 2.291 . . . . 0.0 112.316 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -91.47 152.09 20.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -90.02 149.21 22.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -80.75 134.59 35.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 t -82.33 175.09 10.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.1 t -77.73 -20.39 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.128 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -111.56 1.99 17.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.9 p -117.99 -15.87 9.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.133 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.54 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 14.1 pt20 -54.71 151.12 15.83 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.604 0.716 . . . . 0.0 110.943 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.9 Cg_endo -69.78 -21.36 10.29 Favored 'Cis proline' 0 C--O 1.232 0.184 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.326 0.047 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 34.8 mt -74.05 172.95 10.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 6.3 p -105.27 178.08 4.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -54.98 -53.61 53.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -52.03 -65.03 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 35' ' ' SER . 80.9 m -53.23 -58.66 6.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 34' ' ' CYS . 8.6 t -35.58 -67.91 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.466 ' HA ' ' CG ' ' A' ' 39' ' ' GLN . 19.1 pt-20 -60.37 -40.94 92.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.4 ttt-85 -54.93 -33.67 62.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 39' ' ' GLN . 5.6 tpt180 -84.25 -67.92 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.466 ' CG ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -37.91 -41.81 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.9 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.6 mttp -47.67 -48.51 29.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -69.84 165.89 20.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.7 mp0 -108.35 115.5 30.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 -39.24 -42.68 1.02 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.3 m -74.37 125.12 27.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.57 -112.24 2.83 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -4.55 14.23 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.732 2.288 . . . . 0.0 112.313 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.0 m -94.32 159.22 15.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.2 t -137.58 156.2 48.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.836 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.104 -0.831 . . . . 0.0 112.513 -179.965 . . . . . . . . 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 -0.301 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 m -44.44 -49.58 9.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 0.0 110.826 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.4 m -120.37 139.32 52.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.3 93.47 0.64 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.531 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -145.24 123.03 11.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.878 0.371 . . . . 0.0 110.847 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.6 m -73.43 113.23 10.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -40.4 151.26 0.11 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.473 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.3 t -149.01 121.98 8.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.923 0.392 . . . . 0.0 110.889 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 76.3 mt -57.13 104.31 0.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 16.4 mtm -75.04 174.56 9.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.5 p30 -83.97 10.74 9.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.9 t -94.42 132.6 38.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.124 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -64.97 149.32 49.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 15' ' ' GLU . 41.4 t -58.21 142.38 47.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 14' ' ' CYS . 4.9 tm-20 -35.0 -62.32 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 90.6 m -52.01 124.3 28.66 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.584 0.706 . . . . 0.0 111.177 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 1.32 4.53 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.719 2.279 . . . . 0.0 112.331 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -111.52 -13.85 13.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.6 t -89.82 109.9 35.82 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.639 0.733 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -17.58 37.52 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.644 2.23 . . . . 0.0 112.37 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -71.1 147.63 48.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -84.83 153.17 23.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.6 ptp -94.25 128.96 41.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.61 177.85 5.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.3 t -77.25 -24.0 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.184 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -106.54 0.35 24.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.462 ' C ' ' O ' ' A' ' 30' ' ' LEU . 28.8 p -113.29 -25.84 8.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.524 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 11.9 pt20 -52.18 153.91 4.52 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.623 0.725 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.5 Cg_endo -69.78 -10.9 11.76 Favored 'Cis proline' 0 C--O 1.231 0.147 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.358 0.037 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.462 ' O ' ' C ' ' A' ' 27' ' ' THR . 93.7 mt -86.76 165.84 15.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.461 ' O ' ' C ' ' A' ' 32' ' ' HIS . 10.1 p -100.58 152.95 19.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.461 ' C ' ' O ' ' A' ' 31' ' ' CYS . 2.0 t-160 -32.0 -44.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -62.19 -58.87 6.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.46 ' HA ' ' CD ' ' A' ' 37' ' ' ARG . 81.3 m -66.58 -15.37 63.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.9 t -84.13 -46.52 11.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -66.89 -30.39 70.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.46 ' CD ' ' HA ' ' A' ' 34' ' ' CYS . 48.1 ptt85 -76.52 -41.04 48.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.891 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.3 mmm-85 -70.97 -50.11 38.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -45.43 -35.28 3.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.6 tptt -48.44 -44.44 35.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -70.17 143.79 52.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -51.5 -42.44 61.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -41.88 -56.44 2.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.9 t -99.13 136.42 39.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.66 175.63 41.51 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.447 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 2.56 3.42 Favored 'Trans proline' 0 C--O 1.231 0.131 0 C-N-CA 122.701 2.267 . . . . 0.0 112.326 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 65.3 m -97.62 119.77 36.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 68.8 m -128.89 147.49 50.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.835 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 CA-C-O 119.184 -0.786 . . . . 0.0 112.464 -179.987 . . . . . . . . 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 1.452 -0.297 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.2 m -96.48 156.26 16.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.889 0.376 . . . . 0.0 110.864 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.6 t -39.09 -50.65 1.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.874 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.11 140.95 15.33 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.6 m -95.92 128.89 43.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.921 0.391 . . . . 0.0 110.826 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.7 t -132.1 104.77 6.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.842 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.88 73.82 0.22 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.506 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.9 t -81.84 127.89 33.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.895 0.378 . . . . 0.0 110.888 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.2 mt -58.36 136.5 57.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.6 mmt -88.98 165.55 14.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -82.79 16.68 2.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.813 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.427 ' CG1' ' SD ' ' A' ' 23' ' ' MET . 12.4 p -115.34 136.0 53.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.105 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -65.76 158.89 26.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.8 t -62.1 144.29 55.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -45.26 -47.81 12.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.427 ' CG2' ' H ' ' A' ' 18' ' ' ASN . 46.0 m -54.61 126.78 57.73 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.526 0.679 . . . . 0.0 111.168 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.4 ' HD2' HG23 ' A' ' 16' ' ' THR . 53.9 Cg_endo -69.74 -4.82 14.79 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.663 2.242 . . . . 0.0 112.372 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.427 ' H ' ' CG2' ' A' ' 16' ' ' THR . 8.2 m-20 -118.01 13.52 13.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.403 ' HA ' ' HD2' ' A' ' 20' ' ' PRO . 12.0 t -120.0 106.72 40.83 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.657 0.741 . . . . 0.0 110.914 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 19' ' ' CYS . 53.1 Cg_endo -69.79 -18.09 37.08 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.632 2.221 . . . . 0.0 112.316 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.421 ' CE2' ' HG3' ' A' ' 33' ' ' GLU . 45.8 m-85 -55.64 165.48 0.84 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -104.9 152.94 22.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.427 ' SD ' ' CG1' ' A' ' 12' ' ' VAL . 2.4 mtt -77.65 118.68 20.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.9 m -80.49 175.06 11.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.863 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.8 t -77.24 -24.29 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.13 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -108.65 1.79 21.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.454 ' CG2' ' HA ' ' A' ' 32' ' ' HIS . 24.7 p -117.57 -15.74 10.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.113 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.543 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 17.2 pt20 -55.3 146.08 43.59 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.589 0.709 . . . . 0.0 110.921 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.5 Cg_endo -69.77 -25.08 8.24 Favored 'Cis proline' 0 C--O 1.232 0.2 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.339 -0.032 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 75.5 mt -68.28 178.34 1.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.4 p -105.17 179.15 4.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.454 ' HA ' ' CG2' ' A' ' 27' ' ' THR . 2.7 t-160 -55.92 -54.76 40.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.463 ' O ' ' CG ' ' A' ' 36' ' ' GLU . 6.2 mm-40 -51.76 -66.42 0.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 74.3 m -52.29 -55.29 22.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.2 t -38.79 -58.3 1.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 37' ' ' ARG . 5.2 pt-20 -63.96 -36.11 82.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.852 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.466 ' N ' ' HG3' ' A' ' 36' ' ' GLU . 54.3 mtt-85 -60.64 -41.99 96.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.838 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 30.2 ttp180 -73.26 -42.49 62.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.839 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.405 ' O ' ' N ' ' A' ' 41' ' ' ASN . 10.0 mm100 -64.87 -58.17 6.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 41' ' ' ASN . 21.0 pttt -37.51 -32.37 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.459 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 1.5 p-10 -40.61 -44.49 2.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.828 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -129.49 135.75 49.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -61.33 162.31 7.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.5 t -42.95 -57.34 2.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -50.01 124.71 17.69 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 84.33 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 84.7 p -91.9 132.87 36.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 t -67.83 -52.39 37.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.484 179.999 . . . . . . . . 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 1.451 -0.357 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -81.62 -61.03 2.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.857 0.36 . . . . 0.0 110.881 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.9 m -84.69 -53.71 5.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.21 86.8 0.49 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.474 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.4 m -105.62 169.14 8.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.857 0.361 . . . . 0.0 110.867 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.4 p -77.84 137.14 38.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.01 -165.6 40.82 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.459 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.7 m -148.37 122.05 9.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.848 0.356 . . . . 0.0 110.887 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.8 mt -63.3 121.11 12.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.5 mmt -75.91 167.85 21.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -81.38 15.31 2.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.448 ' CG1' ' SD ' ' A' ' 23' ' ' MET . 11.8 p -111.18 139.41 35.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -68.28 153.85 42.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 15' ' ' GLU . 13.1 t -56.07 138.06 50.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.871 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 14' ' ' CYS . 13.1 tp10 -34.57 -46.77 0.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.405 ' CG2' ' H ' ' A' ' 18' ' ' ASN . 45.5 m -62.12 125.45 85.42 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.568 0.699 . . . . 0.0 111.116 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -6.57 18.91 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.662 2.242 . . . . 0.0 112.354 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.405 ' H ' ' CG2' ' A' ' 16' ' ' THR . 47.1 m-20 -114.11 14.23 18.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.852 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 12.5 t -119.24 114.66 34.76 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.634 0.73 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -22.74 31.86 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.712 2.275 . . . . 0.0 112.362 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -54.11 159.66 1.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -105.26 146.67 28.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.448 ' SD ' ' CG1' ' A' ' 12' ' ' VAL . 4.6 mtt -68.18 125.92 27.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -88.56 155.18 19.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.859 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.7 t -67.95 -12.84 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.127 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -118.03 -5.48 10.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.8 p -116.24 -15.89 11.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.182 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.53 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 19.7 pt20 -52.43 152.26 6.54 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.565 0.698 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.6 Cg_endo -69.78 -24.81 8.38 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.719 -1.784 . . . . 0.0 112.314 0.033 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 52.9 mt -72.81 172.07 11.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.461 ' O ' ' C ' ' A' ' 32' ' ' HIS . 13.6 p -104.41 153.64 20.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.461 ' C ' ' O ' ' A' ' 31' ' ' CYS . 1.7 t-80 -32.83 -54.94 0.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 3.8 tp10 -51.37 -68.3 0.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 37' ' ' ARG . 79.8 m -58.97 -63.18 1.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 34' ' ' CYS . 19.1 m -34.94 -55.63 0.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 33' ' ' GLU . 4.8 pt-20 -69.34 -34.87 75.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 34' ' ' CYS . 19.5 tpt180 -54.08 -51.97 62.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -52.35 -44.66 65.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -48.94 -54.69 14.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.5 tptp -40.37 -47.08 2.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -61.35 119.83 9.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.502 ' C ' ' CG ' ' A' ' 43' ' ' ASN . 4.7 mp0 -79.23 -57.99 3.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.502 ' CG ' ' C ' ' A' ' 42' ' ' GLN . 0.5 OUTLIER 51.47 41.66 28.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.9 p 52.37 41.0 30.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.829 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.24 100.09 2.13 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.531 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 96.13 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.637 2.225 . . . . 0.0 112.356 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 79.2 p -113.13 176.05 5.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.8 m -164.08 170.8 16.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.882 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.534 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 1' ' ' GLY . 31.0 p -35.95 -43.47 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.886 0.374 . . . . 0.0 110.844 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t 65.38 41.96 4.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.33 40.09 1.51 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.471 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 t -96.39 132.38 41.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.833 0.349 . . . . 0.0 110.88 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.8 p 52.38 38.61 25.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.831 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.12 -176.51 54.65 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.447 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.2 t -142.18 133.09 25.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.892 0.377 . . . . 0.0 110.849 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.0 mt -61.88 107.88 0.92 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.9 mmt -74.53 175.58 7.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -83.44 16.18 2.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.3 p -110.96 137.97 41.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.139 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -71.85 152.09 42.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 21' ' ' PHE . 23.6 t -52.55 138.72 27.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 14' ' ' CYS . 14.9 tp10 -35.61 -56.43 0.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.1 m -52.12 122.72 24.67 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.564 0.697 . . . . 0.0 111.153 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -4.58 14.34 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.651 2.234 . . . . 0.0 112.314 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -109.85 -6.72 15.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 11.7 t -95.14 109.57 45.41 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.677 0.751 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -5.68 16.78 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.677 2.252 . . . . 0.0 112.372 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.538 ' CD1' ' OE2' ' A' ' 33' ' ' GLU . 87.8 m-85 -85.47 148.15 26.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -85.71 160.02 19.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -102.72 119.88 39.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.441 ' N ' ' OG1' ' A' ' 27' ' ' THR . 51.4 m -73.39 174.52 8.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.6 t -72.77 -21.72 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.166 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -104.29 -0.17 28.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 30' ' ' LEU . 69.7 p -117.48 -23.86 7.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.533 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 8.5 pt20 -51.98 151.25 6.78 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.552 0.692 . . . . 0.0 110.919 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.4 Cg_endo -69.7 -15.6 12.3 Favored 'Cis proline' 0 C--O 1.231 0.172 0 C-N-CA 122.74 -1.775 . . . . 0.0 112.349 -0.062 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.472 HD21 ' CB ' ' A' ' 34' ' ' CYS . 43.0 mt -82.94 174.46 10.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.7 p -106.07 178.17 4.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.939 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -59.27 -36.09 74.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.538 ' OE2' ' CD1' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -66.85 -50.27 63.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.472 ' CB ' HD21 ' A' ' 30' ' ' LEU . 85.5 m -75.03 -24.12 58.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.474 ' HA ' ' CD ' ' A' ' 38' ' ' ARG . 6.7 t -82.84 -33.81 27.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.491 ' O ' ' CG ' ' A' ' 39' ' ' GLN . 0.2 OUTLIER -79.61 -35.24 39.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.846 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -76.32 -32.83 58.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.474 ' CD ' ' HA ' ' A' ' 35' ' ' SER . 21.8 ptt180 -72.01 -35.89 69.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.491 ' CG ' ' O ' ' A' ' 36' ' ' GLU . 12.2 pt20 -65.64 -34.57 78.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -55.5 -38.4 69.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -45.42 -46.31 13.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 56.84 45.62 21.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -88.77 -54.36 4.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 97.0 p -63.51 159.54 18.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.834 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 102.82 136.95 9.33 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.494 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -50.32 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.649 2.233 . . . . 0.0 112.363 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 71.0 m -47.18 -46.02 23.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 57.8 m -86.66 143.58 27.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.492 -179.986 . . . . . . . . 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 -0.354 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.8 p -58.08 -45.98 86.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.844 0.354 . . . . 0.0 110.85 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 m -67.22 -56.46 9.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.67 141.16 2.8 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.9 p -91.14 129.35 37.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.889 0.376 . . . . 0.0 110.869 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.8 p -70.73 -48.71 53.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.821 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.75 142.59 48.28 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.484 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.7 p -100.14 130.47 46.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.914 0.388 . . . . 0.0 110.886 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.6 mt -62.33 166.65 4.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 9.5 mmt -119.7 172.2 7.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.26 14.35 8.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.1 p -113.04 155.51 14.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.511 ' CE ' ' N ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -85.03 157.26 20.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 179.876 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.2 t -56.61 144.36 32.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.462 ' N ' ' HE3' ' A' ' 23' ' ' MET . 7.7 tt0 -40.52 -55.51 2.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 53.0 m -53.48 124.6 41.45 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.654 0.74 . . . . 0.0 111.154 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 1.24 4.61 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.719 2.279 . . . . 0.0 112.292 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -117.52 -7.38 11.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.0 t -95.69 115.38 65.46 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.652 0.739 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -28.12 25.93 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.668 2.245 . . . . 0.0 112.37 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -52.56 161.98 0.62 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -106.73 157.98 17.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.877 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.462 ' HE3' ' N ' ' A' ' 15' ' ' GLU . 6.5 mtt -75.06 140.84 43.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.408 ' CB ' ' OG1' ' A' ' 27' ' ' THR . 1.1 t -107.34 164.43 12.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.461 ' HA ' ' NE2' ' A' ' 28' ' ' GLN . 62.1 t -71.68 -17.06 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.138 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.84 -2.96 11.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.408 ' OG1' ' CB ' ' A' ' 24' ' ' SER . 21.7 p -116.55 -20.79 9.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.524 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 5.4 pt20 -51.95 153.02 4.86 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.613 0.72 . . . . 0.0 110.935 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.8 Cg_endo -69.74 -18.45 11.61 Favored 'Cis proline' 0 C--N 1.342 0.209 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.353 -0.024 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.2 mt -76.38 178.24 6.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.9 p -103.05 169.47 8.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.846 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.513 ' CD2' ' H ' ' A' ' 33' ' ' GLU . 0.6 OUTLIER -47.29 -49.1 24.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.843 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.513 ' H ' ' CD2' ' A' ' 32' ' ' HIS . 27.5 tt0 -56.13 -68.56 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 35' ' ' SER . 78.8 m -49.33 -58.47 5.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 34' ' ' CYS . 6.7 t -34.48 -53.9 0.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -73.0 -39.17 66.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -47.27 -44.49 23.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 25.0 ttt180 -65.23 -46.65 79.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -53.68 -48.29 69.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 35.1 tttm -46.04 -56.1 6.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -91.06 119.05 30.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -114.53 167.18 10.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -134.87 150.69 50.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.9 t -63.67 152.7 38.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 141.24 146.74 4.79 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.501 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -1.39 8.39 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.694 2.263 . . . . 0.0 112.324 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 42.7 m -47.35 -60.63 2.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 57.8 m -52.37 -51.62 57.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.171 -0.794 . . . . 0.0 112.464 -179.964 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.1 p . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.932 0.396 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 71.1 mt -52.85 111.93 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.4 mmt -87.49 178.29 6.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -79.15 11.2 2.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 81.1 t -99.16 132.2 44.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -72.19 150.13 44.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.1 t -52.23 142.03 17.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -38.59 -61.27 0.72 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.891 HG22 ' H ' ' A' ' 18' ' ' ASN . 90.8 m -51.98 124.05 27.71 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.525 0.679 . . . . 0.0 111.125 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -1.19 8.06 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.704 2.269 . . . . 0.0 112.37 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.891 ' H ' HG22 ' A' ' 16' ' ' THR . 25.3 m120 -107.09 -17.89 14.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 9.1 t -84.79 110.31 26.88 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.629 0.728 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -8.99 25.01 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.665 2.243 . . . . 0.0 112.362 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -84.0 154.38 23.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -89.82 159.01 17.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.5 ptp -94.6 127.45 40.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.71 176.26 7.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.6 t -77.01 -19.89 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.118 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -109.73 -2.88 17.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 30' ' ' LEU . 34.4 p -111.54 -21.68 11.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.141 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.55 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 10.1 pt20 -51.96 151.52 6.45 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.628 0.728 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.55 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.5 Cg_endo -69.78 -17.29 12.04 Favored 'Cis proline' 0 C--O 1.232 0.193 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.382 -0.02 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 27' ' ' THR . 89.0 mt -81.05 170.72 15.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.6 p -101.92 178.55 4.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.826 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -56.31 -39.84 73.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.818 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -64.08 -65.92 0.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 35' ' ' SER . 56.7 m -56.91 -53.67 55.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 34' ' ' CYS . 28.1 t -35.81 -68.15 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 37' ' ' ARG . 12.1 pt-20 -57.53 -43.13 84.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.442 ' N ' ' HG3' ' A' ' 36' ' ' GLU . 34.6 mtp85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.887 0.375 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 31.1 mt -54.78 107.24 0.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 25.4 mtp -68.97 172.73 6.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -89.04 12.6 15.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.581 HG13 ' CG ' ' A' ' 23' ' ' MET . 7.7 p -112.39 139.61 36.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.407 ' O ' ' HE3' ' A' ' 23' ' ' MET . 3.6 mppt? -65.98 151.71 46.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.5 t -52.7 142.01 19.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -38.57 -55.34 1.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.92 HG22 ' H ' ' A' ' 18' ' ' ASN . 87.6 m -52.18 124.33 30.11 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.538 0.685 . . . . 0.0 111.116 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 0.21 5.97 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.662 2.241 . . . . 0.0 112.33 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.92 ' H ' HG22 ' A' ' 16' ' ' THR . 34.4 m-80 -115.17 -9.17 12.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 20' ' ' PRO . 10.2 t -95.51 108.94 42.84 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.592 0.711 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 19' ' ' CYS . 53.8 Cg_endo -69.74 -16.36 37.61 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.686 2.257 . . . . 0.0 112.326 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -70.36 146.35 50.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -82.08 155.25 25.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.581 ' CG ' HG13 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -96.22 119.28 34.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.5 m -70.47 177.36 3.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 62.8 t -75.65 -24.82 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.115 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -102.94 -1.33 29.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.599 HG21 ' CA ' ' A' ' 32' ' ' HIS . 38.5 p -114.68 -23.81 9.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.536 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 24.5 pt20 -52.41 152.04 6.75 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.602 0.715 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.7 Cg_endo -69.74 -10.21 11.35 Favored 'Cis proline' 0 C--O 1.232 0.205 0 C-N-CA 122.751 -1.77 . . . . 0.0 112.323 0.011 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 27' ' ' THR . 77.0 mt -87.67 175.69 7.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.5 ' O ' ' N ' ' A' ' 34' ' ' CYS . 15.7 p -106.84 149.45 27.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.599 ' CA ' HG21 ' A' ' 27' ' ' THR . 2.5 t-160 -34.72 -50.35 0.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -54.02 -42.66 69.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.5 ' N ' ' O ' ' A' ' 31' ' ' CYS . 57.1 m -78.7 -58.11 3.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 34' ' ' CYS . 13.4 t -34.21 -56.71 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 37' ' ' ARG . 12.2 pt-20 -49.92 -41.69 46.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 34' ' ' CYS . 26.1 mmm180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.778 ' O ' HG23 ' A' ' 25' ' ' VAL . 8.7 t . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.885 0.374 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 36.5 mt -74.71 138.79 43.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.0 mmt -96.87 167.58 11.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.8 p30 -83.23 15.38 2.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.7 p -111.79 134.97 52.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -64.03 156.56 27.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.6 t -61.06 145.67 50.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -40.23 -58.55 1.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.902 HG22 ' H ' ' A' ' 18' ' ' ASN . 58.8 m -51.96 124.97 30.22 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.543 0.687 . . . . 0.0 111.145 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 3.15 2.95 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.649 2.233 . . . . 0.0 112.332 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.902 ' H ' HG22 ' A' ' 16' ' ' THR . 5.3 m-80 -115.58 -14.29 11.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 11.4 t -90.74 111.76 49.62 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.646 0.736 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -16.8 37.62 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.697 2.265 . . . . 0.0 112.366 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -60.77 170.84 1.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -111.33 154.41 24.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.3 mtt -74.3 119.67 18.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.927 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.438 ' CB ' ' OG1' ' A' ' 27' ' ' THR . 1.0 OUTLIER -77.6 176.82 8.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.849 -179.791 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 8' ' ' SER . 88.2 t -82.79 -22.34 8.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.116 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -114.23 0.24 14.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.603 HG21 ' HA ' ' A' ' 32' ' ' HIS . 32.7 p -113.91 -14.9 12.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.548 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 13.8 pt20 -52.69 148.23 13.52 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.588 0.708 . . . . 0.0 110.953 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 54.1 Cg_endo -69.73 -25.08 8.22 Favored 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.383 -0.014 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 24.8 mt -68.18 176.88 2.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 12.9 p -106.23 178.22 4.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.856 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.603 ' HA ' HG21 ' A' ' 27' ' ' THR . 1.4 t-80 -55.83 -52.97 62.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.801 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -50.77 -58.95 4.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.462 ' O ' ' C ' ' A' ' 35' ' ' SER . 72.2 m -61.61 -63.27 1.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 34' ' ' CYS . 4.1 t -33.33 -64.01 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -64.17 -43.9 93.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.941 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 -179.907 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.3 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.945 0.402 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.02 107.19 0.69 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.7 mmt -73.54 167.55 21.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -82.44 12.83 4.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.8 t -103.22 135.69 39.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.15 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -65.15 149.48 49.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 15' ' ' GLU . 13.2 t -53.59 140.68 27.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 14' ' ' CYS . 13.2 tp10 -36.58 -58.94 0.7 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.947 HG22 ' H ' ' A' ' 18' ' ' ASN . 54.4 m -52.04 124.9 30.63 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.564 0.697 . . . . 0.0 111.17 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 0.75 5.25 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.645 2.23 . . . . 0.0 112.306 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.947 ' H ' HG22 ' A' ' 16' ' ' THR . 27.5 m120 -115.09 -2.23 12.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.411 ' HA ' ' HD2' ' A' ' 20' ' ' PRO . 8.7 t -103.89 107.57 57.18 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.637 0.732 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 19' ' ' CYS . 53.1 Cg_endo -69.83 -14.0 35.26 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.719 2.279 . . . . 0.0 112.308 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -70.29 145.02 51.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -84.35 145.57 28.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -89.81 125.35 35.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.414 ' N ' ' OG1' ' A' ' 27' ' ' THR . 40.1 m -75.54 178.04 6.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.7 t -74.86 -27.71 20.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -99.17 -3.2 34.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 30' ' ' LEU . 36.2 p -113.38 -25.99 8.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.181 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.539 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 13.8 pt20 -51.98 151.97 6.02 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.66 0.743 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 54.1 Cg_endo -69.72 -13.54 12.32 Favored 'Cis proline' 0 C--O 1.232 0.212 0 C-N-CA 122.657 -1.81 . . . . 0.0 112.375 -0.078 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 27' ' ' THR . 72.3 mt -83.52 169.91 14.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.457 ' O ' ' C ' ' A' ' 32' ' ' HIS . 13.9 p -105.65 153.1 22.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.457 ' C ' ' O ' ' A' ' 31' ' ' CYS . 2.0 t-160 -33.45 -55.85 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -50.35 -51.29 46.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 35' ' ' SER . 99.6 m -68.33 -61.51 1.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 34' ' ' CYS . 46.6 t -34.4 -63.15 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.445 ' HG3' ' N ' ' A' ' 37' ' ' ARG . 17.5 pt-20 -55.52 -47.38 76.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.445 ' N ' ' HG3' ' A' ' 36' ' ' GLU . 48.7 mtt-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.494 ' O ' HG23 ' A' ' 25' ' ' VAL . 4.1 m . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.897 0.38 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 74.3 mt -66.45 122.23 17.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.966 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 23.1 mtp -80.4 172.57 13.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -86.52 15.33 5.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.534 HG13 ' CG ' ' A' ' 23' ' ' MET . 5.7 p -115.11 139.75 39.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -68.43 157.14 36.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.948 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 15' ' ' GLU . 32.4 t -57.8 138.36 55.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.867 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 14' ' ' CYS . 15.4 tp10 -34.46 -60.91 0.41 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.923 HG22 ' H ' ' A' ' 18' ' ' ASN . 52.6 m -52.07 124.64 30.2 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.541 0.686 . . . . 0.0 111.14 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -2.57 10.41 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.638 2.226 . . . . 0.0 112.331 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.923 ' H ' HG22 ' A' ' 16' ' ' THR . 5.0 t-20 -106.15 -16.95 14.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.0 t -88.47 110.16 34.53 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.605 0.717 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -15.52 37.29 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.695 2.263 . . . . 0.0 112.368 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -75.05 150.41 38.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -86.44 155.98 20.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.534 ' CG ' HG13 ' A' ' 12' ' ' VAL . 2.1 ptp -91.23 124.21 35.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.46 ' N ' ' OG1' ' A' ' 27' ' ' THR . 1.2 t -70.17 178.42 2.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 8' ' ' SER . 99.5 t -76.98 -27.81 16.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -104.98 1.09 28.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.46 ' OG1' ' N ' ' A' ' 24' ' ' SER . 40.5 p -111.77 -24.85 9.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.159 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.535 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 11.6 pt20 -52.03 152.56 5.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.623 0.725 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.6 Cg_endo -69.81 -11.14 11.91 Favored 'Cis proline' 0 C--O 1.232 0.213 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.344 0.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.457 ' O ' ' C ' ' A' ' 27' ' ' THR . 62.3 mt -86.4 170.73 11.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.915 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.4 ' O ' ' C ' ' A' ' 32' ' ' HIS . 11.6 p -103.77 159.11 15.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -38.52 -52.53 1.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.825 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.12 -59.92 3.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 75.0 m -62.04 -63.02 1.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.8 t -43.62 -26.74 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -86.05 -63.24 1.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.895 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.879 0.371 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.4 mt -55.57 116.46 2.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.2 mmm -89.25 173.48 8.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -77.08 5.57 7.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.425 ' CG1' ' HE3' ' A' ' 23' ' ' MET . 99.0 t -88.02 128.54 40.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -65.32 145.0 56.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 15' ' ' GLU . 32.5 t -51.98 144.34 12.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.875 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 14' ' ' CYS . 4.9 tm-20 -35.05 -61.0 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.923 HG22 ' H ' ' A' ' 18' ' ' ASN . 52.3 m -57.88 124.66 70.31 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.627 0.727 . . . . 0.0 111.141 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 0.22 5.97 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.697 2.265 . . . . 0.0 112.351 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.923 ' H ' HG22 ' A' ' 16' ' ' THR . 13.7 m120 -107.26 -21.3 13.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.8 t -78.56 112.73 28.77 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.649 0.738 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -4.19 13.5 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.677 2.251 . . . . 0.0 112.358 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -89.42 155.32 19.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -92.7 153.47 18.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.86 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.425 ' HE3' ' CG1' ' A' ' 12' ' ' VAL . 0.7 OUTLIER -87.72 128.08 35.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.45 ' HB3' HG23 ' A' ' 27' ' ' THR . 1.1 t -74.61 177.73 5.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 86.3 t -77.71 -26.04 14.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.1 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -106.01 -0.33 25.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.45 HG23 ' HB3' ' A' ' 24' ' ' SER . 27.6 p -112.74 -19.03 12.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.156 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.555 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 3.4 pt20 -52.76 151.19 8.52 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.533 0.682 . . . . 0.0 110.959 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.7 Cg_endo -69.76 -22.76 9.44 Favored 'Cis proline' 0 C--O 1.232 0.213 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.317 0.031 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.416 HD23 ' HB3' ' A' ' 15' ' ' GLU . 85.5 mt -74.34 174.18 9.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 12.2 p -106.22 177.98 4.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -54.79 -52.51 62.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -52.31 -63.8 1.02 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.429 ' O ' ' N ' ' A' ' 37' ' ' ARG . 80.8 m -56.44 -61.01 2.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.5 t -42.53 -38.28 1.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -65.24 -37.74 88.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 34' ' ' CYS . 30.1 mmm180 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.2 t . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.909 0.385 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.4 mt -56.07 105.0 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.3 mtp -75.05 174.5 9.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -85.02 8.56 17.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.491 HG12 ' HE3' ' A' ' 23' ' ' MET . 36.2 t -90.97 126.39 43.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.464 ' O ' ' HE3' ' A' ' 23' ' ' MET . 3.4 mppt? -60.84 142.45 56.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 15' ' ' GLU . 40.1 t -52.19 137.99 26.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 14' ' ' CYS . 2.5 tm-20 -35.06 -56.15 0.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.897 HG22 ' H ' ' A' ' 18' ' ' ASN . 99.3 m -54.49 123.39 43.54 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.564 0.697 . . . . 0.0 111.163 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 0.41 5.66 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.693 2.262 . . . . 0.0 112.353 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.897 ' H ' HG22 ' A' ' 16' ' ' THR . 5.1 m-20 -113.54 -9.51 13.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.4 ' HA ' ' HD2' ' A' ' 20' ' ' PRO . 20.8 t -93.47 108.74 35.95 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.637 0.732 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 19' ' ' CYS . 53.9 Cg_endo -69.72 -12.16 32.39 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.707 2.272 . . . . 0.0 112.348 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -76.88 149.6 36.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -84.43 155.19 22.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.491 ' HE3' HG12 ' A' ' 12' ' ' VAL . 0.9 OUTLIER -92.93 126.3 37.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.436 ' HB3' HG23 ' A' ' 27' ' ' THR . 32.8 t -72.45 178.6 3.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 84.4 t -78.38 -21.86 13.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.099 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -108.84 -4.57 16.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.436 HG23 ' HB3' ' A' ' 24' ' ' SER . 43.6 p -107.48 -20.87 13.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.551 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 4.1 pt20 -54.27 151.35 13.64 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.628 0.728 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.7 Cg_endo -69.78 -15.08 12.55 Favored 'Cis proline' 0 C--N 1.342 0.211 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.345 0.025 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 27' ' ' THR . 79.5 mt -81.07 173.89 12.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 10.5 p -104.6 175.43 5.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -49.27 -56.96 7.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -53.63 -68.0 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 37' ' ' ARG . 72.3 m -49.32 -64.16 0.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.6 t -39.48 -37.09 0.43 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -78.81 -40.8 31.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 34' ' ' CYS . 2.3 mmp_? . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.667 ' O ' HG23 ' A' ' 25' ' ' VAL . 32.0 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.877 0.37 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.2 mt -53.48 121.94 8.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.937 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 32.8 mmm -90.27 177.56 6.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -81.74 13.5 3.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.525 HG13 ' HG3' ' A' ' 23' ' ' MET . 8.2 p -109.3 128.22 65.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -62.71 153.36 32.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 15' ' ' GLU . 24.7 t -52.97 143.45 17.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.523 ' HB3' HD23 ' A' ' 30' ' ' LEU . 26.1 tt0 -35.79 -59.98 0.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.863 HG22 ' H ' ' A' ' 18' ' ' ASN . 98.6 m -56.69 123.75 59.44 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.534 0.683 . . . . 0.0 111.164 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 1.35 4.53 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.627 2.218 . . . . 0.0 112.315 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.863 ' H ' HG22 ' A' ' 16' ' ' THR . 39.3 t30 -108.04 -24.88 11.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.857 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.418 ' HA ' ' HD2' ' A' ' 20' ' ' PRO . 16.8 t -72.76 112.31 14.71 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.63 0.728 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 19' ' ' CYS . 54.0 Cg_endo -69.66 0.85 4.98 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.686 2.257 . . . . 0.0 112.371 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.401 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 80.9 m-85 -101.68 153.31 19.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -89.42 160.92 16.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.525 ' HG3' HG13 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -93.97 128.75 40.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.893 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.95 176.16 5.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 8' ' ' SER . 70.0 t -76.07 -23.94 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 -106.73 -1.23 22.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 31.5 p -112.12 -20.63 11.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.549 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 7.6 pt20 -52.11 151.41 6.87 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.603 0.716 . . . . 0.0 110.887 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.7 Cg_endo -69.81 -20.62 10.72 Favored 'Cis proline' 0 C--O 1.232 0.215 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.36 0.035 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.523 HD23 ' HB3' ' A' ' 15' ' ' GLU . 86.8 mt -77.57 173.52 11.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.8 p -105.12 177.67 4.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -51.54 -53.4 38.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -53.99 -68.0 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 37' ' ' ARG . 47.8 m -54.2 -63.23 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.3 t -40.65 -40.46 1.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -78.65 -32.48 47.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 34' ' ' CYS . 20.0 ttm180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.9 t . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.934 0.397 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 71.7 mt -72.23 113.26 9.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 24.3 mtp -71.82 172.7 9.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -90.94 16.39 9.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.834 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.504 HG13 ' CG ' ' A' ' 23' ' ' MET . 9.2 p -116.55 135.18 57.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.075 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -62.01 151.32 35.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 15' ' ' GLU . 41.4 t -54.65 136.34 45.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.871 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 14' ' ' CYS . 3.9 tp10 -34.03 -56.54 0.48 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.848 HG22 ' H ' ' A' ' 18' ' ' ASN . 69.2 m -52.01 124.19 28.39 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.559 0.695 . . . . 0.0 111.158 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -7.0 19.94 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.657 2.238 . . . . 0.0 112.348 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.848 ' H ' HG22 ' A' ' 16' ' ' THR . 8.8 m120 -106.63 -5.06 18.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 20' ' ' PRO . 10.2 t -99.72 105.82 36.55 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.607 0.718 . . . . 0.0 110.907 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 19' ' ' CYS . 54.4 Cg_endo -69.69 -10.55 28.9 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.703 2.268 . . . . 0.0 112.389 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.4 ' O ' ' HB2' ' A' ' 14' ' ' CYS . 87.7 m-85 -79.11 146.89 32.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -81.09 153.46 27.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.504 ' CG ' HG13 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -94.12 121.64 35.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.448 ' N ' ' OG1' ' A' ' 27' ' ' THR . 2.7 m -70.86 178.05 3.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 84.2 t -76.0 -25.86 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.108 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -101.59 1.86 38.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' A' ' 24' ' ' SER . 70.9 p -116.47 -25.43 7.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.537 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 20.1 pt20 -52.09 151.53 6.7 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.621 0.724 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.3 Cg_endo -69.85 -6.06 9.35 Favored 'Cis proline' 0 C--O 1.232 0.219 0 C-N-CA 122.741 -1.775 . . . . 0.0 112.262 0.121 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' A' ' 27' ' ' THR . 83.3 mt -91.75 178.05 6.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.2 p -107.71 178.1 4.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -54.47 -43.68 71.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -61.29 -67.97 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 48.5 m -53.96 -55.68 24.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.6 t -51.21 -31.39 20.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -78.14 -56.59 4.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.85 -179.869 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 72.4 m . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.874 0.368 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 75.6 mt -58.24 109.78 0.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 19.7 mmm -64.68 174.21 1.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -83.19 6.21 20.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.464 HG13 ' CG ' ' A' ' 23' ' ' MET . 14.5 p -105.94 136.34 40.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -64.97 152.42 43.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.438 ' O ' ' C ' ' A' ' 15' ' ' GLU . 31.7 t -52.38 140.59 21.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.891 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 14' ' ' CYS . 27.7 tp10 -34.0 -63.93 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.874 HG22 ' H ' ' A' ' 18' ' ' ASN . 82.2 m -52.93 123.52 33.01 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.579 0.704 . . . . 0.0 111.104 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -0.49 6.99 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.63 2.22 . . . . 0.0 112.363 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.874 ' H ' HG22 ' A' ' 16' ' ' THR . 19.2 t-20 -105.02 -22.7 13.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.423 ' HA ' ' HD2' ' A' ' 20' ' ' PRO . 11.0 t -76.64 111.78 18.01 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.661 0.743 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 19' ' ' CYS . 53.7 Cg_endo -69.78 2.96 3.07 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.713 2.275 . . . . 0.0 112.304 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.424 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 81.6 m-85 -103.8 156.33 17.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.925 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -91.4 160.19 15.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.464 ' CG ' HG13 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -91.83 126.88 37.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.6 t -73.34 178.41 4.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.879 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.7 t -77.99 -20.39 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -108.67 -6.04 16.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 30' ' ' LEU . 55.8 p -107.82 -19.19 13.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.547 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 8.2 pt20 -52.56 151.45 7.77 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.593 0.711 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.4 Cg_endo -69.71 -15.01 12.45 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.658 -1.809 . . . . 0.0 112.349 -0.036 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 27' ' ' THR . 75.3 mt -84.59 177.33 8.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 10.2 p -106.0 177.49 4.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -54.72 -50.73 67.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -52.99 -58.7 6.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 35' ' ' SER . 65.8 m -62.44 -64.67 0.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 34' ' ' CYS . 12.1 t -38.26 -42.72 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -77.68 -40.55 41.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.822 -179.914 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.0 t . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.913 0.387 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.3 mt -54.83 104.96 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.443 ' SD ' HG22 ' A' ' 25' ' ' VAL . 3.4 mtp -75.82 175.67 8.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -85.58 12.71 8.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.3 t -96.62 122.16 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -56.4 144.87 29.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.438 ' O ' ' C ' ' A' ' 15' ' ' GLU . 15.9 t -52.26 141.0 20.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.511 ' HB3' HD23 ' A' ' 30' ' ' LEU . 33.6 tt0 -34.41 -60.93 0.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.903 HG22 ' H ' ' A' ' 18' ' ' ASN . 83.0 m -54.32 123.82 44.35 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.633 0.73 . . . . 0.0 111.151 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 0.19 6.02 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.706 2.271 . . . . 0.0 112.342 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.903 ' H ' HG22 ' A' ' 16' ' ' THR . 2.5 m120 -110.72 -9.37 14.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.1 t -93.03 109.05 37.02 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.638 0.733 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -2.1 9.56 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.726 2.284 . . . . 0.0 112.373 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -88.09 148.69 24.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -87.01 149.86 24.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -90.4 125.94 35.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.1 t -73.3 178.83 4.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.443 HG22 ' SD ' ' A' ' 10' ' ' MET . 61.7 t -77.97 -18.3 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.138 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -108.68 -7.47 15.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.563 HG21 ' CA ' ' A' ' 32' ' ' HIS . 59.6 p -106.9 -21.54 12.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.207 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.545 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 3.3 pt20 -52.52 151.49 7.64 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.63 0.728 . . . . 0.0 110.877 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.9 Cg_endo -69.73 -13.57 12.34 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.337 -0.04 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.511 HD23 ' HB3' ' A' ' 15' ' ' GLU . 72.2 mt -84.78 175.05 9.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.941 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 34' ' ' CYS . 15.2 p -108.59 149.95 28.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.563 ' CA ' HG21 ' A' ' 27' ' ' THR . 16.2 p-80 -35.17 -48.64 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.443 ' N ' ' CG ' ' A' ' 32' ' ' HIS . 2.1 mm-40 -54.5 -42.88 71.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 37' ' ' ARG . 92.6 m -80.67 -57.74 3.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 34' ' ' CYS . 8.3 t -33.0 -52.92 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.476 ' HG3' ' N ' ' A' ' 37' ' ' ARG . 11.0 pt-20 -54.88 -45.43 74.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 34' ' ' CYS . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.819 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.901 0.381 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 99.5 mt -55.98 107.99 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.6 mmt -73.63 178.14 4.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -88.85 13.09 13.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.427 HG13 ' O ' ' A' ' 12' ' ' VAL . 15.0 p -108.36 127.0 65.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -58.3 152.62 17.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.418 ' O ' ' C ' ' A' ' 15' ' ' GLU . 41.4 t -54.71 144.43 22.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.847 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 14' ' ' CYS . 14.5 tm-20 -36.74 -60.57 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.902 HG22 ' H ' ' A' ' 18' ' ' ASN . 79.0 m -52.87 123.74 33.42 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.622 0.725 . . . . 0.0 111.148 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 -1.78 9.08 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.643 2.229 . . . . 0.0 112.317 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.902 ' H ' HG22 ' A' ' 16' ' ' THR . 73.9 m-80 -109.78 -6.11 15.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.4 t -94.3 110.91 51.32 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.643 0.735 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -15.7 37.2 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.656 2.238 . . . . 0.0 112.382 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -80.24 148.07 30.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -83.7 160.6 21.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -100.74 122.11 42.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.447 ' N ' ' OG1' ' A' ' 27' ' ' THR . 2.4 m -70.62 178.26 3.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 48.9 t -75.96 -21.53 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -104.12 -4.45 23.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.456 ' C ' ' O ' ' A' ' 30' ' ' LEU . 64.4 p -110.96 -24.91 10.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.182 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.539 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 3.5 pt20 -51.92 151.75 6.13 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.551 0.691 . . . . 0.0 110.949 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.9 Cg_endo -69.73 -12.45 12.13 Favored 'Cis proline' 0 C--O 1.232 0.202 0 C-N-CA 122.649 -1.813 . . . . 0.0 112.391 -0.051 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.456 ' O ' ' C ' ' A' ' 27' ' ' THR . 80.0 mt -86.56 175.66 8.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 35' ' ' SER . 10.6 p -104.47 178.71 4.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -54.83 -45.78 74.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -62.3 -69.3 0.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 35' ' ' SER . 60.7 m -52.39 -53.41 45.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 31' ' ' CYS . 28.2 t -35.61 -67.41 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.53 ' CD ' ' N ' ' A' ' 37' ' ' ARG . 1.9 pp20? -65.45 -41.69 93.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.858 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.53 ' N ' ' CD ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.818 ' O ' HG23 ' A' ' 25' ' ' VAL . 2.4 t . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.906 0.384 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.5 mt -83.49 144.41 29.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 12.6 mmt -100.54 160.09 14.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -82.22 17.91 1.54 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.3 t -108.72 130.14 62.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -59.23 152.76 19.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 15' ' ' GLU . 14.8 t -57.87 138.76 55.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.871 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 14' ' ' CYS . 34.5 tp10 -34.29 -51.28 0.44 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.894 HG22 ' H ' ' A' ' 18' ' ' ASN . 99.0 m -57.21 123.96 63.58 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.54 0.686 . . . . 0.0 111.158 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -0.92 7.56 Favored 'Trans proline' 0 C--N 1.34 0.116 0 C-N-CA 122.714 2.276 . . . . 0.0 112.338 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.894 ' H ' HG22 ' A' ' 16' ' ' THR . 15.7 m-20 -114.71 -13.34 12.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.3 t -89.21 110.54 39.21 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.62 0.724 . . . . 0.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -6.26 18.18 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.687 2.258 . . . . 0.0 112.341 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -70.54 172.58 8.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -113.06 153.04 28.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.403 ' HE2' ' O ' ' A' ' 29' ' ' PRO . 3.7 mtt -74.47 126.96 31.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 t -91.23 155.91 18.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.862 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.818 HG23 ' O ' ' A' ' 8' ' ' SER . 86.6 t -68.9 -11.82 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.161 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -118.04 -6.21 10.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.5 p -117.82 -13.89 10.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.538 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 7.3 pt20 -53.65 151.35 11.29 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.637 0.732 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.7 Cg_endo -69.76 -21.41 10.23 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.711 -1.787 . . . . 0.0 112.37 -0.008 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.6 mt -73.37 176.6 5.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 2.8 p -113.38 157.04 22.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.436 ' ND1' ' N ' ' A' ' 32' ' ' HIS . 0.0 OUTLIER -38.75 -66.4 0.28 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 179.93 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -39.12 -31.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.903 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 37' ' ' ARG . 68.2 m -89.13 -65.74 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 34' ' ' CYS . 2.5 t -35.1 -33.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.474 ' HG3' ' N ' ' A' ' 37' ' ' ARG . 20.5 pt-20 -72.44 -47.05 52.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 34' ' ' CYS . 17.9 ptt180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.499 ' O ' HG23 ' A' ' 25' ' ' VAL . 62.8 m . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.877 0.37 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.6 mt -82.98 113.56 20.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.932 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.4 mmt -69.54 163.74 24.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -84.94 17.99 2.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 25.0 t -110.73 140.6 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -68.26 157.56 35.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.0 t -61.12 144.98 52.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.426 ' N ' ' HE2' ' A' ' 23' ' ' MET . 38.7 tt0 -41.83 -54.0 3.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.592 HG22 ' H ' ' A' ' 18' ' ' ASN . 7.2 m -52.02 126.24 33.98 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.554 0.692 . . . . 0.0 111.174 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -1.63 8.78 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.692 2.261 . . . . 0.0 112.37 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.592 ' H ' HG22 ' A' ' 16' ' ' THR . 67.8 m-20 -118.0 6.89 12.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.9 t -113.38 106.99 53.99 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.653 0.74 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 -16.29 37.17 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.686 2.258 . . . . 0.0 112.348 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.602 ' CE2' ' OE1' ' A' ' 33' ' ' GLU . 40.2 m-85 -56.0 160.23 2.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -101.34 147.91 25.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.44 ' HB3' ' CG ' ' A' ' 28' ' ' GLN . 3.1 mtt -73.42 140.12 46.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.852 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.79 157.64 16.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 8' ' ' SER . 58.5 t -68.39 -10.86 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.401 ' O ' ' OD1' ' A' ' 26' ' ' ASN . 6.9 t-20 -117.29 -14.49 10.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.519 HG21 ' CA ' ' A' ' 32' ' ' HIS . 22.6 p -108.98 -13.92 14.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.537 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 20.8 mt-30 -55.54 152.38 17.94 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.623 0.725 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.8 Cg_endo -69.7 -22.68 9.44 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.367 -0.05 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 62.7 mt -73.05 175.5 6.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.462 ' O ' ' C ' ' A' ' 32' ' ' HIS . 8.4 p -106.92 148.9 28.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.519 ' CA ' HG21 ' A' ' 27' ' ' THR . 0.0 OUTLIER -31.99 -56.7 0.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.836 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.602 ' OE1' ' CE2' ' A' ' 21' ' ' PHE . 6.6 mt-10 -47.88 -51.01 24.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 36' ' ' GLU . 84.3 m -77.83 -63.35 1.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.48 ' C ' ' O ' ' A' ' 34' ' ' CYS . 84.0 p -32.05 -37.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.843 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 34' ' ' CYS . 20.0 pt-20 -90.04 -42.41 11.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 34' ' ' CYS . 29.2 ttt180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.618 ' O ' HG23 ' A' ' 25' ' ' VAL . 11.1 t . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.925 0.393 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 75.8 mt -52.73 116.75 2.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.1 mtp -79.78 175.46 10.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.0 p-10 -84.68 16.89 2.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.5 t -107.14 154.46 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.523 ' CE ' ' N ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -81.98 145.79 30.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 15' ' ' GLU . 35.4 t -52.87 142.41 19.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 14' ' ' CYS . 28.6 tp10 -35.08 -53.85 0.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.894 HG22 ' H ' ' A' ' 18' ' ' ASN . 88.6 m -60.71 122.68 70.15 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.602 0.715 . . . . 0.0 111.116 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 0.89 5.04 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.653 2.236 . . . . 0.0 112.317 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.894 ' H ' HG22 ' A' ' 16' ' ' THR . 33.0 m-80 -112.96 -9.17 13.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 33.8 t -90.39 109.9 37.02 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.658 0.742 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -1.08 7.84 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.737 2.291 . . . . 0.0 112.316 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -91.47 152.09 20.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -90.02 149.21 22.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -80.75 134.59 35.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.413 ' HB3' HG23 ' A' ' 27' ' ' THR . 1.1 t -82.33 175.09 10.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 8' ' ' SER . 60.1 t -77.73 -20.39 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.128 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -111.56 1.99 17.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.413 HG23 ' HB3' ' A' ' 24' ' ' SER . 24.9 p -117.99 -15.87 9.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.133 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.552 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 14.1 pt20 -54.71 151.12 15.83 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.604 0.716 . . . . 0.0 110.943 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.9 Cg_endo -69.78 -21.36 10.29 Favored 'Cis proline' 0 C--O 1.232 0.184 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.326 0.047 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.421 HD22 ' CB ' ' A' ' 34' ' ' CYS . 34.8 mt -74.05 172.95 10.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 6.3 p -105.27 178.08 4.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -54.98 -53.61 53.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -52.03 -65.03 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 35' ' ' SER . 80.9 m -53.23 -58.66 6.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 34' ' ' CYS . 8.6 t -35.58 -67.91 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -60.37 -40.94 92.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.4 ttt-85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.912 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.923 0.392 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 76.3 mt -57.13 104.31 0.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.463 ' SD ' HG22 ' A' ' 25' ' ' VAL . 16.4 mtm -75.04 174.56 9.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.5 p30 -83.97 10.74 9.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.9 t -94.42 132.6 38.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.124 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -64.97 149.32 49.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 15' ' ' GLU . 41.4 t -58.21 142.38 47.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 14' ' ' CYS . 4.9 tm-20 -35.0 -62.32 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.857 HG22 ' H ' ' A' ' 18' ' ' ASN . 90.6 m -52.01 124.3 28.66 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.584 0.706 . . . . 0.0 111.177 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 1.32 4.53 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.719 2.279 . . . . 0.0 112.331 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.857 ' H ' HG22 ' A' ' 16' ' ' THR . 47.1 t30 -111.52 -13.85 13.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.6 t -89.82 109.9 35.82 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.639 0.733 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -17.58 37.52 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.644 2.23 . . . . 0.0 112.37 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -71.1 147.63 48.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.402 ' O ' ' HB2' ' A' ' 31' ' ' CYS . 62.8 m-85 -84.83 153.17 23.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.6 ptp -94.25 128.96 41.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.429 ' HB3' HG23 ' A' ' 27' ' ' THR . 0.9 OUTLIER -74.61 177.85 5.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.803 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.463 HG22 ' SD ' ' A' ' 10' ' ' MET . 57.3 t -77.25 -24.0 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.184 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -106.54 0.35 24.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.462 ' C ' ' O ' ' A' ' 30' ' ' LEU . 28.8 p -113.29 -25.84 8.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.535 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 10.4 pt20 -52.18 153.91 4.52 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.623 0.725 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.5 Cg_endo -69.78 -10.9 11.76 Favored 'Cis proline' 0 C--O 1.231 0.147 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.358 0.037 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.462 ' O ' ' C ' ' A' ' 27' ' ' THR . 93.7 mt -86.76 165.84 15.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.461 ' O ' ' C ' ' A' ' 32' ' ' HIS . 10.1 p -100.58 152.95 19.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.461 ' C ' ' O ' ' A' ' 31' ' ' CYS . 2.0 t-160 -32.0 -44.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -62.19 -58.87 6.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.47 ' HA ' ' CD ' ' A' ' 37' ' ' ARG . 81.3 m -66.58 -15.37 63.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.9 t -84.13 -46.52 11.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -66.89 -30.39 70.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.47 ' CD ' ' HA ' ' A' ' 34' ' ' CYS . 48.1 ptt85 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.891 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.443 ' O ' HG23 ' A' ' 25' ' ' VAL . 25.9 t . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.895 0.378 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.2 mt -58.36 136.5 57.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.6 mmt -88.98 165.55 14.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -82.79 16.68 2.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.813 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.528 HG13 ' SD ' ' A' ' 23' ' ' MET . 12.4 p -115.34 136.0 53.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.105 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -65.76 158.89 26.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.8 t -62.1 144.29 55.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -45.26 -47.81 12.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.916 HG22 ' H ' ' A' ' 18' ' ' ASN . 46.0 m -54.61 126.78 57.73 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.526 0.679 . . . . 0.0 111.168 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -4.82 14.79 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.663 2.242 . . . . 0.0 112.372 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.916 ' H ' HG22 ' A' ' 16' ' ' THR . 8.2 m-20 -118.01 13.52 13.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.432 ' HA ' ' HD2' ' A' ' 20' ' ' PRO . 12.0 t -120.0 106.72 40.83 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.657 0.741 . . . . 0.0 110.914 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 19' ' ' CYS . 53.1 Cg_endo -69.79 -18.09 37.08 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.632 2.221 . . . . 0.0 112.316 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.43 ' CE2' ' HG3' ' A' ' 33' ' ' GLU . 45.8 m-85 -55.64 165.48 0.84 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -104.9 152.94 22.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.528 ' SD ' HG13 ' A' ' 12' ' ' VAL . 2.4 mtt -77.65 118.68 20.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.472 ' HB2' HG23 ' A' ' 27' ' ' THR . 11.9 m -80.49 175.06 11.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.863 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 8' ' ' SER . 96.8 t -77.24 -24.29 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.13 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -108.65 1.79 21.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.722 HG21 ' HA ' ' A' ' 32' ' ' HIS . 24.7 p -117.57 -15.74 10.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.113 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.555 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 17.2 pt20 -55.3 146.08 43.59 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.589 0.709 . . . . 0.0 110.921 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.5 Cg_endo -69.77 -25.08 8.24 Favored 'Cis proline' 0 C--O 1.232 0.2 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.339 -0.032 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 75.5 mt -68.28 178.34 1.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.4 p -105.17 179.15 4.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.722 ' HA ' HG21 ' A' ' 27' ' ' THR . 2.7 t-160 -55.92 -54.76 40.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.463 ' O ' ' CG ' ' A' ' 36' ' ' GLU . 6.2 mm-40 -51.76 -66.42 0.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 74.3 m -52.29 -55.29 22.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.2 t -38.79 -58.3 1.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.472 ' HG3' ' N ' ' A' ' 37' ' ' ARG . 5.2 pt-20 -63.96 -36.11 82.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.852 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.472 ' N ' ' HG3' ' A' ' 36' ' ' GLU . 54.3 mtt-85 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.838 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.728 ' O ' HG23 ' A' ' 25' ' ' VAL . 60.7 m . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.848 0.356 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.452 HD22 ' HB2' ' A' ' 22' ' ' PHE . 19.8 mt -63.3 121.11 12.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.967 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.5 mmt -75.91 167.85 21.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -81.38 15.31 2.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.491 HG13 ' SD ' ' A' ' 23' ' ' MET . 11.8 p -111.18 139.41 35.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -68.28 153.85 42.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 15' ' ' GLU . 13.1 t -56.07 138.06 50.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.871 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.48 ' N ' ' HE2' ' A' ' 23' ' ' MET . 13.1 tp10 -34.57 -46.77 0.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.853 HG22 ' H ' ' A' ' 18' ' ' ASN . 45.5 m -62.12 125.45 85.42 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.568 0.699 . . . . 0.0 111.116 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -6.57 18.91 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.662 2.242 . . . . 0.0 112.354 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.853 ' H ' HG22 ' A' ' 16' ' ' THR . 47.1 m-20 -114.11 14.23 18.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.852 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 12.5 t -119.24 114.66 34.76 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.634 0.73 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -22.74 31.86 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.712 2.275 . . . . 0.0 112.362 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -54.11 159.66 1.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.452 ' HB2' HD22 ' A' ' 9' ' ' LEU . 76.2 m-85 -105.26 146.67 28.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.491 ' SD ' HG13 ' A' ' 12' ' ' VAL . 4.6 mtt -68.18 125.92 27.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.405 ' HB3' HG23 ' A' ' 27' ' ' THR . 1.0 OUTLIER -88.56 155.18 19.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.859 -179.82 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 8' ' ' SER . 6.7 t -67.95 -12.84 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.127 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -118.03 -5.48 10.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.405 HG23 ' HB3' ' A' ' 24' ' ' SER . 27.8 p -116.24 -15.89 11.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.182 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.541 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 19.7 pt20 -52.43 152.26 6.54 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.565 0.698 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.6 Cg_endo -69.78 -24.81 8.38 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.719 -1.784 . . . . 0.0 112.314 0.033 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 52.9 mt -72.81 172.07 11.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.461 ' O ' ' C ' ' A' ' 32' ' ' HIS . 13.6 p -104.41 153.64 20.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.461 ' C ' ' O ' ' A' ' 31' ' ' CYS . 1.7 t-80 -32.83 -54.94 0.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 3.8 tp10 -51.37 -68.3 0.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 37' ' ' ARG . 79.8 m -58.97 -63.18 1.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 34' ' ' CYS . 19.1 m -34.94 -55.63 0.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 33' ' ' GLU . 4.8 pt-20 -69.34 -34.87 75.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 34' ' ' CYS . 19.5 tpt180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.2 t . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.892 0.377 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.0 mt -61.88 107.88 0.92 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.9 mmt -74.53 175.58 7.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -83.44 16.18 2.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.553 HG13 ' HG3' ' A' ' 23' ' ' MET . 6.3 p -110.96 137.97 41.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.139 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.478 ' O ' ' HE2' ' A' ' 23' ' ' MET . 4.0 mppt? -71.85 152.09 42.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 21' ' ' PHE . 23.6 t -52.55 138.72 27.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 14' ' ' CYS . 14.9 tp10 -35.61 -56.43 0.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.772 HG22 ' H ' ' A' ' 18' ' ' ASN . 32.1 m -52.12 122.72 24.67 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.564 0.697 . . . . 0.0 111.153 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -4.58 14.34 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.651 2.234 . . . . 0.0 112.314 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.772 ' H ' HG22 ' A' ' 16' ' ' THR . 12.1 m-80 -109.85 -6.72 15.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 11.7 t -95.14 109.57 45.41 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.677 0.751 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -5.68 16.78 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.677 2.252 . . . . 0.0 112.372 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.538 ' CD1' ' OE2' ' A' ' 33' ' ' GLU . 87.8 m-85 -85.47 148.15 26.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -85.71 160.02 19.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.553 ' HG3' HG13 ' A' ' 12' ' ' VAL . 0.4 OUTLIER -102.72 119.88 39.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.43 ' N ' ' OG1' ' A' ' 27' ' ' THR . 51.4 m -73.39 174.52 8.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.6 t -72.77 -21.72 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.166 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -104.29 -0.17 28.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 30' ' ' LEU . 69.7 p -117.48 -23.86 7.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.543 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 9.0 pt20 -51.98 151.25 6.78 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.552 0.692 . . . . 0.0 110.919 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.4 Cg_endo -69.7 -15.6 12.3 Favored 'Cis proline' 0 C--O 1.231 0.172 0 C-N-CA 122.74 -1.775 . . . . 0.0 112.349 -0.062 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.479 HD22 ' CB ' ' A' ' 34' ' ' CYS . 43.0 mt -82.94 174.46 10.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.402 ' O ' ' HB3' ' A' ' 35' ' ' SER . 29.7 p -106.07 178.17 4.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.939 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -59.27 -36.09 74.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.538 ' OE2' ' CD1' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -66.85 -50.27 63.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.479 ' CB ' HD22 ' A' ' 30' ' ' LEU . 85.5 m -75.03 -24.12 58.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.402 ' HB3' ' O ' ' A' ' 31' ' ' CYS . 6.7 t -82.84 -33.81 27.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.61 -35.24 39.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.846 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.893 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.855 ' O ' HG23 ' A' ' 25' ' ' VAL . 4.7 p . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.914 0.388 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.469 HD22 ' HB2' ' A' ' 22' ' ' PHE . 20.6 mt -62.33 166.65 4.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.933 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 9.5 mmt -119.7 172.2 7.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.26 14.35 8.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.44 HG22 ' N ' ' A' ' 13' ' ' LYS . 13.1 p -113.04 155.51 14.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.511 ' CE ' ' N ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -85.03 157.26 20.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 179.876 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.2 t -56.61 144.36 32.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.504 ' N ' ' HE2' ' A' ' 23' ' ' MET . 7.7 tt0 -40.52 -55.51 2.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.939 HG22 ' H ' ' A' ' 18' ' ' ASN . 53.0 m -53.48 124.6 41.45 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.654 0.74 . . . . 0.0 111.154 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 1.24 4.61 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.719 2.279 . . . . 0.0 112.292 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.939 ' H ' HG22 ' A' ' 16' ' ' THR . 18.0 m120 -117.52 -7.38 11.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.0 t -95.69 115.38 65.46 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.652 0.739 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -28.12 25.93 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.668 2.245 . . . . 0.0 112.37 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -52.56 161.98 0.62 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.469 ' HB2' HD22 ' A' ' 9' ' ' LEU . 24.6 m-85 -106.73 157.98 17.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.877 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.504 ' HE2' ' N ' ' A' ' 15' ' ' GLU . 6.5 mtt -75.06 140.84 43.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.423 ' HB3' HG23 ' A' ' 27' ' ' THR . 1.1 t -107.34 164.43 12.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.855 HG23 ' O ' ' A' ' 8' ' ' SER . 62.1 t -71.68 -17.06 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.138 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.84 -2.96 11.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.532 HG21 ' HA ' ' A' ' 32' ' ' HIS . 21.7 p -116.55 -20.79 9.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.536 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 17.0 pt20 -51.95 153.02 4.86 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.613 0.72 . . . . 0.0 110.935 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.8 Cg_endo -69.74 -18.45 11.61 Favored 'Cis proline' 0 C--N 1.342 0.209 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.353 -0.024 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.2 mt -76.38 178.24 6.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.9 p -103.05 169.47 8.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.846 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.532 ' HA ' HG21 ' A' ' 27' ' ' THR . 0.6 OUTLIER -47.29 -49.1 24.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.843 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.507 ' H ' ' CD2' ' A' ' 32' ' ' HIS . 27.5 tt0 -56.13 -68.56 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 35' ' ' SER . 78.8 m -49.33 -58.47 5.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 34' ' ' CYS . 6.7 t -34.48 -53.9 0.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -73.0 -39.17 66.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.881 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 t 64.92 42.73 4.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.879 0.371 . . . . 0.0 110.906 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -131.71 149.25 52.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.865 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.59 137.04 6.34 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 6' ' ' SER . 39.0 p -137.72 167.04 22.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.927 0.394 . . . . 0.0 110.86 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 5' ' ' SER . 82.5 p -35.64 -49.28 0.56 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.834 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.62 151.49 20.6 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.465 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.1 p -127.55 120.11 27.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.932 0.396 . . . . 0.0 110.864 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 71.1 mt -52.85 111.93 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.4 mmt -87.49 178.29 6.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -79.15 11.2 2.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 81.1 t -99.16 132.2 44.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -72.19 150.13 44.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.1 t -52.23 142.03 17.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -38.59 -61.27 0.72 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.891 HG22 ' H ' ' A' ' 18' ' ' ASN . 90.8 m -51.98 124.05 27.71 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.525 0.679 . . . . 0.0 111.125 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -1.19 8.06 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.704 2.269 . . . . 0.0 112.37 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.891 ' H ' HG22 ' A' ' 16' ' ' THR . 25.3 m120 -107.09 -17.89 14.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 9.1 t -84.79 110.31 26.88 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.629 0.728 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -8.99 25.01 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.665 2.243 . . . . 0.0 112.362 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -84.0 154.38 23.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -89.82 159.01 17.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.5 ptp -94.6 127.45 40.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.71 176.26 7.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.6 t -77.01 -19.89 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.118 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -109.73 -2.88 17.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 30' ' ' LEU . 34.4 p -111.54 -21.68 11.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.141 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.55 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 10.1 pt20 -51.96 151.52 6.45 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.628 0.728 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.55 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.5 Cg_endo -69.78 -17.29 12.04 Favored 'Cis proline' 0 C--O 1.232 0.193 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.382 -0.02 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 27' ' ' THR . 89.0 mt -81.05 170.72 15.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.6 p -101.92 178.55 4.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.826 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -56.31 -39.84 73.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.818 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -64.08 -65.92 0.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 35' ' ' SER . 56.7 m -56.91 -53.67 55.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 34' ' ' CYS . 28.1 t -35.81 -68.15 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 37' ' ' ARG . 12.1 pt-20 -57.53 -43.13 84.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.442 ' N ' ' HG3' ' A' ' 36' ' ' GLU . 34.6 mtp85 -52.26 -39.43 60.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -71.64 -43.6 65.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.7 tm0? -41.06 -47.55 3.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -43.36 -45.14 5.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -40.45 -53.36 2.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -99.93 126.4 46.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.935 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -137.92 142.63 40.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 53.1 p -101.77 15.13 29.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.34 -160.32 53.07 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.442 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 134.33 27.77 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.651 2.234 . . . . 0.0 112.376 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.3 p -46.46 -47.86 19.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.2 t -52.25 -52.81 50.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.89 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.523 179.959 . . . . . . . . 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 1.452 -0.271 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.0 m -65.1 116.78 6.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.909 0.385 . . . . 0.0 110.811 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.8 m -80.88 121.33 25.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.832 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.14 104.29 0.94 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.461 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 p -52.81 -21.19 3.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.939 0.399 . . . . 0.0 110.9 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 p -97.34 -55.76 2.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.839 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.05 -178.32 38.78 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.513 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.9 m -135.17 119.78 18.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.887 0.375 . . . . 0.0 110.857 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 31.1 mt -54.78 107.24 0.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 25.4 mtp -68.97 172.73 6.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -89.04 12.6 15.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.581 HG13 ' CG ' ' A' ' 23' ' ' MET . 7.7 p -112.39 139.61 36.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.407 ' O ' ' HE3' ' A' ' 23' ' ' MET . 3.6 mppt? -65.98 151.71 46.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.5 t -52.7 142.01 19.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -38.57 -55.34 1.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.92 HG22 ' H ' ' A' ' 18' ' ' ASN . 87.6 m -52.18 124.33 30.11 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.538 0.685 . . . . 0.0 111.116 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 0.21 5.97 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.662 2.241 . . . . 0.0 112.33 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.92 ' H ' HG22 ' A' ' 16' ' ' THR . 34.4 m-80 -115.17 -9.17 12.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 20' ' ' PRO . 10.2 t -95.51 108.94 42.84 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.592 0.711 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 19' ' ' CYS . 53.8 Cg_endo -69.74 -16.36 37.61 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.686 2.257 . . . . 0.0 112.326 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -70.36 146.35 50.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -82.08 155.25 25.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.581 ' CG ' HG13 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -96.22 119.28 34.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.5 m -70.47 177.36 3.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 62.8 t -75.65 -24.82 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.115 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -102.94 -1.33 29.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.599 HG21 ' CA ' ' A' ' 32' ' ' HIS . 38.5 p -114.68 -23.81 9.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.536 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 24.5 pt20 -52.41 152.04 6.75 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.602 0.715 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.7 Cg_endo -69.74 -10.21 11.35 Favored 'Cis proline' 0 C--O 1.232 0.205 0 C-N-CA 122.751 -1.77 . . . . 0.0 112.323 0.011 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 27' ' ' THR . 77.0 mt -87.67 175.69 7.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.5 ' O ' ' N ' ' A' ' 34' ' ' CYS . 15.7 p -106.84 149.45 27.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.599 ' CA ' HG21 ' A' ' 27' ' ' THR . 2.5 t-160 -34.72 -50.35 0.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -54.02 -42.66 69.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.5 ' N ' ' O ' ' A' ' 31' ' ' CYS . 57.1 m -78.7 -58.11 3.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 34' ' ' CYS . 13.4 t -34.21 -56.71 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 37' ' ' ARG . 12.2 pt-20 -49.92 -41.69 46.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 34' ' ' CYS . 26.1 mmm180 -61.96 -46.35 89.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 39' ' ' GLN . 23.6 mmm-85 -61.22 -60.39 3.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 38' ' ' ARG . 9.8 mm-40 -37.17 -48.98 0.88 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.3 tttp -94.86 114.85 26.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -155.04 130.0 9.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.0 mp0 -70.86 -56.57 6.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -46.7 -54.13 10.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.8 m -63.2 159.04 18.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -159.38 83.58 0.13 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.449 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 160.53 49.34 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.669 2.246 . . . . 0.0 112.354 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 54.9 p -107.41 144.7 33.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.842 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.1 t -55.32 -56.0 25.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.174 -0.792 . . . . 0.0 112.479 -179.973 . . . . . . . . 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 -0.301 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.8 t -84.55 127.35 34.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.893 0.378 . . . . 0.0 110.852 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.9 m -117.84 175.87 5.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.841 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.63 59.85 3.14 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.464 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 6' ' ' SER . 42.9 m -67.23 -45.6 76.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.897 0.379 . . . . 0.0 110.88 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 5' ' ' SER . 1.5 t -38.02 -54.82 1.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -47.73 124.01 9.57 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.449 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.778 ' O ' HG23 ' A' ' 25' ' ' VAL . 8.7 t -133.78 145.86 50.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.885 0.374 . . . . 0.0 110.894 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 36.5 mt -74.71 138.79 43.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.0 mmt -96.87 167.58 11.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.8 p30 -83.23 15.38 2.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.7 p -111.79 134.97 52.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -64.03 156.56 27.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.6 t -61.06 145.67 50.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -40.23 -58.55 1.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.902 HG22 ' H ' ' A' ' 18' ' ' ASN . 58.8 m -51.96 124.97 30.22 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.543 0.687 . . . . 0.0 111.145 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 3.15 2.95 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.649 2.233 . . . . 0.0 112.332 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.902 ' H ' HG22 ' A' ' 16' ' ' THR . 5.3 m-80 -115.58 -14.29 11.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 11.4 t -90.74 111.76 49.62 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.646 0.736 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -16.8 37.62 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.697 2.265 . . . . 0.0 112.366 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -60.77 170.84 1.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -111.33 154.41 24.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.3 mtt -74.3 119.67 18.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.927 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.438 ' CB ' ' OG1' ' A' ' 27' ' ' THR . 1.0 OUTLIER -77.6 176.82 8.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.849 -179.791 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 8' ' ' SER . 88.2 t -82.79 -22.34 8.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.116 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -114.23 0.24 14.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.603 HG21 ' HA ' ' A' ' 32' ' ' HIS . 32.7 p -113.91 -14.9 12.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.548 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 13.8 pt20 -52.69 148.23 13.52 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.588 0.708 . . . . 0.0 110.953 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 54.1 Cg_endo -69.73 -25.08 8.22 Favored 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.383 -0.014 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 24.8 mt -68.18 176.88 2.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 12.9 p -106.23 178.22 4.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.856 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.603 ' HA ' HG21 ' A' ' 27' ' ' THR . 1.4 t-80 -55.83 -52.97 62.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.801 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -50.77 -58.95 4.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.462 ' O ' ' C ' ' A' ' 35' ' ' SER . 72.2 m -61.61 -63.27 1.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 34' ' ' CYS . 4.1 t -33.33 -64.01 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -64.17 -43.9 93.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.941 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 -47.03 -55.96 7.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.8 ttp85 -56.82 -61.69 2.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 22.7 mm100 -40.44 -61.43 0.92 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.2 tptm -41.79 -62.96 0.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -77.74 108.34 10.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.925 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -102.93 132.37 49.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -66.37 159.16 27.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.1 p -74.8 154.31 38.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.21 153.66 20.66 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.497 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 127.55 14.82 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.718 2.279 . . . . 0.0 112.342 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.2 m 61.02 42.16 13.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.84 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 49' ' ' GLY . 1.9 t -46.59 -52.91 12.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 48' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.267 0 CA-C-O 119.174 -0.792 . . . . 0.0 112.518 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.4 p -125.32 173.65 8.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.81 0.338 . . . . 0.0 110.893 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 t -86.46 -49.06 7.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.87 -118.45 4.46 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.445 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.2 p -116.84 120.97 40.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.895 0.379 . . . . 0.0 110.832 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.9 p -151.37 119.28 6.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.6 -159.97 35.89 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.508 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.3 t -157.86 123.19 4.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.945 0.402 . . . . 0.0 110.814 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.02 107.19 0.69 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.7 mmt -73.54 167.55 21.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -82.44 12.83 4.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.8 t -103.22 135.69 39.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.15 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -65.15 149.48 49.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 15' ' ' GLU . 13.2 t -53.59 140.68 27.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 14' ' ' CYS . 13.2 tp10 -36.58 -58.94 0.7 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.947 HG22 ' H ' ' A' ' 18' ' ' ASN . 54.4 m -52.04 124.9 30.63 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.564 0.697 . . . . 0.0 111.17 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 0.75 5.25 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.645 2.23 . . . . 0.0 112.306 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.947 ' H ' HG22 ' A' ' 16' ' ' THR . 27.5 m120 -115.09 -2.23 12.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.411 ' HA ' ' HD2' ' A' ' 20' ' ' PRO . 8.7 t -103.89 107.57 57.18 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.637 0.732 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 19' ' ' CYS . 53.1 Cg_endo -69.83 -14.0 35.26 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.719 2.279 . . . . 0.0 112.308 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -70.29 145.02 51.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -84.35 145.57 28.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -89.81 125.35 35.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.414 ' N ' ' OG1' ' A' ' 27' ' ' THR . 40.1 m -75.54 178.04 6.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.7 t -74.86 -27.71 20.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -99.17 -3.2 34.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 30' ' ' LEU . 36.2 p -113.38 -25.99 8.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.181 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.539 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 13.8 pt20 -51.98 151.97 6.02 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.66 0.743 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 54.1 Cg_endo -69.72 -13.54 12.32 Favored 'Cis proline' 0 C--O 1.232 0.212 0 C-N-CA 122.657 -1.81 . . . . 0.0 112.375 -0.078 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 27' ' ' THR . 72.3 mt -83.52 169.91 14.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.457 ' O ' ' C ' ' A' ' 32' ' ' HIS . 13.9 p -105.65 153.1 22.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.457 ' C ' ' O ' ' A' ' 31' ' ' CYS . 2.0 t-160 -33.45 -55.85 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -50.35 -51.29 46.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 35' ' ' SER . 99.6 m -68.33 -61.51 1.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 34' ' ' CYS . 46.6 t -34.4 -63.15 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.445 ' HG3' ' N ' ' A' ' 37' ' ' ARG . 17.5 pt-20 -55.52 -47.38 76.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.445 ' N ' ' HG3' ' A' ' 36' ' ' GLU . 48.7 mtt-85 -53.75 -39.7 65.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.9 ttp180 -68.61 -55.21 12.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -44.69 -58.52 3.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -59.94 -44.64 94.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -51.18 -43.99 61.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.9 mm-40 -71.38 140.72 50.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.946 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -81.4 3.8 23.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.8 t -77.21 131.44 38.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.41 95.29 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -35.94 11.68 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.661 2.24 . . . . 0.0 112.344 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 75.7 m -45.67 -43.84 12.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.2 t -87.56 -46.05 9.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.495 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.7 p -104.69 142.29 34.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.872 0.367 . . . . 0.0 110.843 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 t -93.71 -59.54 1.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.822 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.85 -44.58 2.58 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.472 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 t -68.71 169.14 11.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.818 0.342 . . . . 0.0 110.872 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -75.79 -59.13 2.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.83 175.98 20.48 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.525 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.494 ' O ' HG23 ' A' ' 25' ' ' VAL . 4.1 m -150.31 144.73 25.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.897 0.38 . . . . 0.0 110.877 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 74.3 mt -66.45 122.23 17.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.966 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 23.1 mtp -80.4 172.57 13.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -86.52 15.33 5.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.534 HG13 ' CG ' ' A' ' 23' ' ' MET . 5.7 p -115.11 139.75 39.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -68.43 157.14 36.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.948 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 15' ' ' GLU . 32.4 t -57.8 138.36 55.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.867 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 14' ' ' CYS . 15.4 tp10 -34.46 -60.91 0.41 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.923 HG22 ' H ' ' A' ' 18' ' ' ASN . 52.6 m -52.07 124.64 30.2 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.541 0.686 . . . . 0.0 111.14 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -2.57 10.41 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.638 2.226 . . . . 0.0 112.331 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.923 ' H ' HG22 ' A' ' 16' ' ' THR . 5.0 t-20 -106.15 -16.95 14.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.0 t -88.47 110.16 34.53 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.605 0.717 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -15.52 37.29 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.695 2.263 . . . . 0.0 112.368 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -75.05 150.41 38.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -86.44 155.98 20.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.534 ' CG ' HG13 ' A' ' 12' ' ' VAL . 2.1 ptp -91.23 124.21 35.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.46 ' N ' ' OG1' ' A' ' 27' ' ' THR . 1.2 t -70.17 178.42 2.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 8' ' ' SER . 99.5 t -76.98 -27.81 16.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -104.98 1.09 28.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.46 ' OG1' ' N ' ' A' ' 24' ' ' SER . 40.5 p -111.77 -24.85 9.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.159 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.535 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 11.6 pt20 -52.03 152.56 5.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.623 0.725 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.6 Cg_endo -69.81 -11.14 11.91 Favored 'Cis proline' 0 C--O 1.232 0.213 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.344 0.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.619 HD12 HH21 ' A' ' 38' ' ' ARG . 62.3 mt -86.4 170.73 11.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.915 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.4 ' O ' ' C ' ' A' ' 32' ' ' HIS . 11.6 p -103.77 159.11 15.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -38.52 -52.53 1.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.825 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.12 -59.92 3.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 75.0 m -62.04 -63.02 1.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.8 t -43.62 -26.74 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -86.05 -63.24 1.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -46.76 -36.3 7.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.619 HH21 HD12 ' A' ' 30' ' ' LEU . 11.9 mtm180 -66.46 -46.57 75.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -47.02 -59.09 3.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.952 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.6 tttp -50.8 -42.02 57.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -65.16 -43.33 92.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -47.42 -56.24 7.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -141.81 124.34 15.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 77.2 p -97.81 164.84 12.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.11 -76.57 0.51 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 86.7 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.702 2.268 . . . . 0.0 112.359 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 25.1 m -67.98 -61.31 1.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.8 p 53.95 39.6 30.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.808 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.459 -179.97 . . . . . . . . 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 -0.345 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.2 p -49.87 -43.56 49.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.913 0.387 . . . . 0.0 110.891 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t 53.18 41.82 32.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.01 62.43 4.19 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.509 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.4 m -151.69 164.59 36.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.88 0.371 . . . . 0.0 110.824 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.6 p -48.73 -45.11 39.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.857 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.42 138.39 5.35 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.497 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.0 t -120.38 125.87 49.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 110.868 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.4 mt -55.57 116.46 2.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.2 mmm -89.25 173.48 8.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -77.08 5.57 7.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.425 ' CG1' ' HE3' ' A' ' 23' ' ' MET . 99.0 t -88.02 128.54 40.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -65.32 145.0 56.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 15' ' ' GLU . 32.5 t -51.98 144.34 12.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.875 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 14' ' ' CYS . 4.9 tm-20 -35.05 -61.0 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.923 HG22 ' H ' ' A' ' 18' ' ' ASN . 52.3 m -57.88 124.66 70.31 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.627 0.727 . . . . 0.0 111.141 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 0.22 5.97 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.697 2.265 . . . . 0.0 112.351 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.923 ' H ' HG22 ' A' ' 16' ' ' THR . 13.7 m120 -107.26 -21.3 13.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.8 t -78.56 112.73 28.77 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.649 0.738 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -4.19 13.5 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.677 2.251 . . . . 0.0 112.358 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -89.42 155.32 19.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -92.7 153.47 18.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.86 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.425 ' HE3' ' CG1' ' A' ' 12' ' ' VAL . 0.7 OUTLIER -87.72 128.08 35.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.45 ' HB3' HG23 ' A' ' 27' ' ' THR . 1.1 t -74.61 177.73 5.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 86.3 t -77.71 -26.04 14.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.1 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -106.01 -0.33 25.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.45 HG23 ' HB3' ' A' ' 24' ' ' SER . 27.6 p -112.74 -19.03 12.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.156 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.555 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 3.4 pt20 -52.76 151.19 8.52 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.533 0.682 . . . . 0.0 110.959 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.7 Cg_endo -69.76 -22.76 9.44 Favored 'Cis proline' 0 C--O 1.232 0.213 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.317 0.031 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.416 HD23 ' HB3' ' A' ' 15' ' ' GLU . 85.5 mt -74.34 174.18 9.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 12.2 p -106.22 177.98 4.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -54.79 -52.51 62.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -52.31 -63.8 1.02 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.429 ' O ' ' N ' ' A' ' 37' ' ' ARG . 80.8 m -56.44 -61.01 2.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.5 t -42.53 -38.28 1.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -65.24 -37.74 88.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 34' ' ' CYS . 30.1 mmm180 -64.75 -41.31 96.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 39' ' ' GLN . 34.4 mtp180 -68.87 -45.62 70.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 38' ' ' ARG . 13.3 tm0? -37.2 -49.93 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.944 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.82 -59.18 2.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -43.23 -64.12 0.69 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -84.12 158.84 21.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -154.17 173.47 16.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.5 t -102.03 130.29 48.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.42 -157.94 8.75 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.458 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 140.29 42.39 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.72 2.28 . . . . 0.0 112.325 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.6 p -94.3 7.48 45.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 79.6 p -80.17 134.29 36.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.449 -179.982 . . . . . . . . 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 1.452 -0.278 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.7 m -109.19 157.67 18.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.912 0.387 . . . . 0.0 110.814 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 t -95.47 137.65 34.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.865 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.41 52.77 0.21 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -112.57 151.9 29.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.888 0.375 . . . . 0.0 110.871 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.4 t -85.49 -48.96 8.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.49 104.59 0.36 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.505 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.2 t -101.89 122.53 44.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.909 0.385 . . . . 0.0 110.902 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.4 mt -56.07 105.0 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.3 mtp -75.05 174.5 9.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -85.02 8.56 17.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.491 HG12 ' HE3' ' A' ' 23' ' ' MET . 36.2 t -90.97 126.39 43.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.464 ' O ' ' HE3' ' A' ' 23' ' ' MET . 3.4 mppt? -60.84 142.45 56.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 15' ' ' GLU . 40.1 t -52.19 137.99 26.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 14' ' ' CYS . 2.5 tm-20 -35.06 -56.15 0.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.897 HG22 ' H ' ' A' ' 18' ' ' ASN . 99.3 m -54.49 123.39 43.54 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.564 0.697 . . . . 0.0 111.163 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 0.41 5.66 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.693 2.262 . . . . 0.0 112.353 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.897 ' H ' HG22 ' A' ' 16' ' ' THR . 5.1 m-20 -113.54 -9.51 13.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.4 ' HA ' ' HD2' ' A' ' 20' ' ' PRO . 20.8 t -93.47 108.74 35.95 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.637 0.732 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 19' ' ' CYS . 53.9 Cg_endo -69.72 -12.16 32.39 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.707 2.272 . . . . 0.0 112.348 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -76.88 149.6 36.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -84.43 155.19 22.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.491 ' HE3' HG12 ' A' ' 12' ' ' VAL . 0.9 OUTLIER -92.93 126.3 37.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.436 ' HB3' HG23 ' A' ' 27' ' ' THR . 32.8 t -72.45 178.6 3.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 84.4 t -78.38 -21.86 13.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.099 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -108.84 -4.57 16.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.436 HG23 ' HB3' ' A' ' 24' ' ' SER . 43.6 p -107.48 -20.87 13.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.551 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 4.1 pt20 -54.27 151.35 13.64 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.628 0.728 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.7 Cg_endo -69.78 -15.08 12.55 Favored 'Cis proline' 0 C--N 1.342 0.211 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.345 0.025 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 27' ' ' THR . 79.5 mt -81.07 173.89 12.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 10.5 p -104.6 175.43 5.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -49.27 -56.96 7.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -53.63 -68.0 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 37' ' ' ARG . 72.3 m -49.32 -64.16 0.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.6 t -39.48 -37.09 0.43 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -78.81 -40.8 31.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 34' ' ' CYS . 2.3 mmp_? -50.66 -40.99 54.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -79.37 -46.17 18.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 40' ' ' LYS . 26.0 mt-30 -41.27 -60.66 1.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 39' ' ' GLN . 78.4 tttt -35.63 -51.35 0.65 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 32.7 t-20 -80.21 124.53 28.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -77.56 130.37 36.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -108.21 6.67 26.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.9 p -49.93 -52.24 34.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.87 -94.98 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 99.52 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.644 2.229 . . . . 0.0 112.347 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 55.9 p -80.92 131.81 35.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 98.3 p -82.37 -45.71 14.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.835 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 CA-C-O 119.076 -0.847 . . . . 0.0 112.555 -179.956 . . . . . . . . 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 -0.302 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.2 p -136.12 150.58 49.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.903 0.382 . . . . 0.0 110.887 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -95.15 135.45 36.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.847 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.41 -177.7 18.1 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.529 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.6 t -79.8 134.48 36.35 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.85 0.357 . . . . 0.0 110.898 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.8 p -97.74 173.96 6.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.807 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.25 58.72 0.13 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.479 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.667 ' O ' HG23 ' A' ' 25' ' ' VAL . 32.0 t -123.17 135.6 54.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.877 0.37 . . . . 0.0 110.901 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.2 mt -53.48 121.94 8.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.937 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 32.8 mmm -90.27 177.56 6.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -81.74 13.5 3.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.525 HG13 ' HG3' ' A' ' 23' ' ' MET . 8.2 p -109.3 128.22 65.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -62.71 153.36 32.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 15' ' ' GLU . 24.7 t -52.97 143.45 17.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.523 ' HB3' HD23 ' A' ' 30' ' ' LEU . 26.1 tt0 -35.79 -59.98 0.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.863 HG22 ' H ' ' A' ' 18' ' ' ASN . 98.6 m -56.69 123.75 59.44 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.534 0.683 . . . . 0.0 111.164 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 1.35 4.53 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.627 2.218 . . . . 0.0 112.315 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.863 ' H ' HG22 ' A' ' 16' ' ' THR . 39.3 t30 -108.04 -24.88 11.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.857 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.418 ' HA ' ' HD2' ' A' ' 20' ' ' PRO . 16.8 t -72.76 112.31 14.71 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.63 0.728 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 19' ' ' CYS . 54.0 Cg_endo -69.66 0.85 4.98 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.686 2.257 . . . . 0.0 112.371 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.401 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 80.9 m-85 -101.68 153.31 19.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -89.42 160.92 16.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.525 ' HG3' HG13 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -93.97 128.75 40.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.893 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.95 176.16 5.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 8' ' ' SER . 70.0 t -76.07 -23.94 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 -106.73 -1.23 22.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 31.5 p -112.12 -20.63 11.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.549 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 7.6 pt20 -52.11 151.41 6.87 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.603 0.716 . . . . 0.0 110.887 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.7 Cg_endo -69.81 -20.62 10.72 Favored 'Cis proline' 0 C--O 1.232 0.215 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.36 0.035 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.523 HD23 ' HB3' ' A' ' 15' ' ' GLU . 86.8 mt -77.57 173.52 11.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.8 p -105.12 177.67 4.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -51.54 -53.4 38.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -53.99 -68.0 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 37' ' ' ARG . 47.8 m -54.2 -63.23 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.3 t -40.65 -40.46 1.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -78.65 -32.48 47.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 34' ' ' CYS . 20.0 ttm180 -67.33 -40.48 85.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.5 ttm180 -59.21 -40.82 87.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -78.44 -42.41 30.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -53.5 -43.48 68.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -95.95 175.51 6.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.431 ' NE2' ' O ' ' A' ' 42' ' ' GLN . 1.8 pm0 -74.34 130.53 39.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -83.35 -62.76 1.5 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.7 m -73.05 -56.05 5.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 129.67 149.96 6.89 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.47 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 113.17 3.29 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.663 2.242 . . . . 0.0 112.296 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.1 t -97.65 146.08 25.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.2 m -46.77 -46.5 20.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.451 -179.999 . . . . . . . . 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 1.452 -0.285 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 m -135.49 161.27 35.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.914 0.387 . . . . 0.0 110.817 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.6 p -58.26 175.46 0.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.84 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.46 58.84 0.56 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.542 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.5 t -129.25 164.39 23.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.932 0.396 . . . . 0.0 110.864 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.9 p -121.02 176.25 5.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.91 164.25 13.27 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.473 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.9 t -133.67 143.09 48.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.934 0.397 . . . . 0.0 110.859 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 71.7 mt -72.23 113.26 9.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 24.3 mtp -71.82 172.7 9.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -90.94 16.39 9.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.834 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.504 HG13 ' CG ' ' A' ' 23' ' ' MET . 9.2 p -116.55 135.18 57.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.075 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -62.01 151.32 35.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 15' ' ' GLU . 41.4 t -54.65 136.34 45.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.871 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 14' ' ' CYS . 3.9 tp10 -34.03 -56.54 0.48 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.848 HG22 ' H ' ' A' ' 18' ' ' ASN . 69.2 m -52.01 124.19 28.39 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.559 0.695 . . . . 0.0 111.158 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -7.0 19.94 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.657 2.238 . . . . 0.0 112.348 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.848 ' H ' HG22 ' A' ' 16' ' ' THR . 8.8 m120 -106.63 -5.06 18.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 20' ' ' PRO . 10.2 t -99.72 105.82 36.55 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.607 0.718 . . . . 0.0 110.907 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 19' ' ' CYS . 54.4 Cg_endo -69.69 -10.55 28.9 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.703 2.268 . . . . 0.0 112.389 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.4 ' O ' ' HB2' ' A' ' 14' ' ' CYS . 87.7 m-85 -79.11 146.89 32.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -81.09 153.46 27.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.504 ' CG ' HG13 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -94.12 121.64 35.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.448 ' N ' ' OG1' ' A' ' 27' ' ' THR . 2.7 m -70.86 178.05 3.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 84.2 t -76.0 -25.86 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.108 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -101.59 1.86 38.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' A' ' 24' ' ' SER . 70.9 p -116.47 -25.43 7.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.537 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 20.1 pt20 -52.09 151.53 6.7 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.621 0.724 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.3 Cg_endo -69.85 -6.06 9.35 Favored 'Cis proline' 0 C--O 1.232 0.219 0 C-N-CA 122.741 -1.775 . . . . 0.0 112.262 0.121 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' A' ' 27' ' ' THR . 83.3 mt -91.75 178.05 6.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.2 p -107.71 178.1 4.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -54.47 -43.68 71.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -61.29 -67.97 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 48.5 m -53.96 -55.68 24.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.6 t -51.21 -31.39 20.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -78.14 -56.59 4.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -55.86 -33.97 65.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.85 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -69.36 -51.35 37.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 40' ' ' LYS . 7.3 mm100 -40.64 -46.67 2.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -36.85 -45.8 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -42.04 -46.63 4.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.51 44.4 7.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -54.39 -48.05 72.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.1 m -136.68 128.59 29.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.14 -66.61 2.42 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.521 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 88.51 0.54 Allowed 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.694 2.263 . . . . 0.0 112.39 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 56.1 p -91.96 -53.77 4.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.1 t -130.55 126.64 37.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 CA-C-O 119.084 -0.842 . . . . 0.0 112.52 -179.954 . . . . . . . . 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 1.452 -0.261 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.2 p -156.71 146.74 21.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.879 0.371 . . . . 0.0 110.864 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.4 p -116.44 127.34 54.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.792 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.51 -90.26 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.526 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m 54.36 41.62 31.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.901 0.382 . . . . 0.0 110.866 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -88.27 -58.66 2.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.53 160.6 31.53 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.503 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 72.4 m -110.8 122.1 46.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.874 0.368 . . . . 0.0 110.861 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 75.6 mt -58.24 109.78 0.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 19.7 mmm -64.68 174.21 1.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -83.19 6.21 20.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.464 HG13 ' CG ' ' A' ' 23' ' ' MET . 14.5 p -105.94 136.34 40.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -64.97 152.42 43.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.438 ' O ' ' C ' ' A' ' 15' ' ' GLU . 31.7 t -52.38 140.59 21.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.891 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 14' ' ' CYS . 27.7 tp10 -34.0 -63.93 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.874 HG22 ' H ' ' A' ' 18' ' ' ASN . 82.2 m -52.93 123.52 33.01 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.579 0.704 . . . . 0.0 111.104 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -0.49 6.99 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.63 2.22 . . . . 0.0 112.363 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.874 ' H ' HG22 ' A' ' 16' ' ' THR . 19.2 t-20 -105.02 -22.7 13.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.423 ' HA ' ' HD2' ' A' ' 20' ' ' PRO . 11.0 t -76.64 111.78 18.01 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.661 0.743 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 19' ' ' CYS . 53.7 Cg_endo -69.78 2.96 3.07 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.713 2.275 . . . . 0.0 112.304 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.424 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 81.6 m-85 -103.8 156.33 17.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.925 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -91.4 160.19 15.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.464 ' CG ' HG13 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -91.83 126.88 37.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.6 t -73.34 178.41 4.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.879 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.7 t -77.99 -20.39 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -108.67 -6.04 16.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 30' ' ' LEU . 55.8 p -107.82 -19.19 13.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.547 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 8.2 pt20 -52.56 151.45 7.77 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.593 0.711 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.4 Cg_endo -69.71 -15.01 12.45 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.658 -1.809 . . . . 0.0 112.349 -0.036 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 27' ' ' THR . 75.3 mt -84.59 177.33 8.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 10.2 p -106.0 177.49 4.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -54.72 -50.73 67.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -52.99 -58.7 6.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 35' ' ' SER . 65.8 m -62.44 -64.67 0.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 34' ' ' CYS . 12.1 t -38.26 -42.72 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -77.68 -40.55 41.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -56.77 -46.22 81.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.822 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.7 ttt-85 -70.95 -44.35 66.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.832 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -43.86 -53.48 6.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.93 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -50.22 -51.98 39.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -68.86 128.93 38.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -59.91 146.2 43.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -166.45 165.47 17.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.5 t -55.53 124.62 17.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 152.16 -156.7 26.85 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 98.99 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.7 2.267 . . . . 0.0 112.379 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 81.5 p -83.48 12.56 5.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 89.0 p -125.29 119.09 27.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.827 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.154 -0.804 . . . . 0.0 112.514 -179.989 . . . . . . . . 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 1.451 -0.35 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 m -131.36 130.95 43.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.88 0.371 . . . . 0.0 110.892 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.8 m -46.32 -56.73 5.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.68 79.69 0.23 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.433 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -58.53 -57.09 14.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.364 . . . . 0.0 110.824 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.5 m 59.85 40.57 19.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.8 112.64 0.26 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.0 t -104.16 123.2 46.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.913 0.387 . . . . 0.0 110.865 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.3 mt -54.83 104.96 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.443 ' SD ' HG22 ' A' ' 25' ' ' VAL . 3.4 mtp -75.82 175.67 8.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -85.58 12.71 8.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.3 t -96.62 122.16 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -56.4 144.87 29.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.438 ' O ' ' C ' ' A' ' 15' ' ' GLU . 15.9 t -52.26 141.0 20.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.511 ' HB3' HD23 ' A' ' 30' ' ' LEU . 33.6 tt0 -34.41 -60.93 0.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.903 HG22 ' H ' ' A' ' 18' ' ' ASN . 83.0 m -54.32 123.82 44.35 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.633 0.73 . . . . 0.0 111.151 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 0.19 6.02 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.706 2.271 . . . . 0.0 112.342 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.903 ' H ' HG22 ' A' ' 16' ' ' THR . 2.5 m120 -110.72 -9.37 14.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.1 t -93.03 109.05 37.02 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.638 0.733 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -2.1 9.56 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.726 2.284 . . . . 0.0 112.373 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -88.09 148.69 24.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -87.01 149.86 24.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -90.4 125.94 35.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.1 t -73.3 178.83 4.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.443 HG22 ' SD ' ' A' ' 10' ' ' MET . 61.7 t -77.97 -18.3 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.138 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -108.68 -7.47 15.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.563 HG21 ' CA ' ' A' ' 32' ' ' HIS . 59.6 p -106.9 -21.54 12.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.207 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.545 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 3.3 pt20 -52.52 151.49 7.64 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.63 0.728 . . . . 0.0 110.877 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.9 Cg_endo -69.73 -13.57 12.34 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.337 -0.04 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.511 HD23 ' HB3' ' A' ' 15' ' ' GLU . 72.2 mt -84.78 175.05 9.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.941 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 34' ' ' CYS . 15.2 p -108.59 149.95 28.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.563 ' CA ' HG21 ' A' ' 27' ' ' THR . 16.2 p-80 -35.17 -48.64 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.443 ' N ' ' CG ' ' A' ' 32' ' ' HIS . 2.1 mm-40 -54.5 -42.88 71.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 37' ' ' ARG . 92.6 m -80.67 -57.74 3.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 34' ' ' CYS . 8.3 t -33.0 -52.92 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.476 ' HG3' ' N ' ' A' ' 37' ' ' ARG . 11.0 pt-20 -54.88 -45.43 74.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 34' ' ' CYS . 0.4 OUTLIER -57.11 -48.5 78.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.819 -179.869 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.9 tpt85 -69.31 -30.29 68.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 40' ' ' LYS . 16.6 tt0 -74.75 -66.42 0.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 41' ' ' ASN . 11.2 pttp -37.31 -41.28 0.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 40' ' ' LYS . 28.5 t-20 -36.9 -61.49 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -60.7 129.56 42.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -104.76 104.66 14.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.9 t -116.33 164.06 15.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -39.45 138.59 1.03 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.514 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 124.02 10.68 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.738 2.292 . . . . 0.0 112.336 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.1 m -112.87 106.8 15.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.4 t -62.54 152.58 34.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.513 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.5 p -111.72 143.49 42.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.373 . . . . 0.0 110.833 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.9 m -40.78 -55.36 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.832 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.16 -39.12 1.77 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t 56.72 39.11 29.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.901 0.381 . . . . 0.0 110.858 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.7 p -101.1 119.11 38.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.67 156.46 15.55 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.53 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -118.09 121.55 40.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.901 0.381 . . . . 0.0 110.909 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 99.5 mt -55.98 107.99 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.6 mmt -73.63 178.14 4.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -88.85 13.09 13.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.427 HG13 ' O ' ' A' ' 12' ' ' VAL . 15.0 p -108.36 127.0 65.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -58.3 152.62 17.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.418 ' O ' ' C ' ' A' ' 15' ' ' GLU . 41.4 t -54.71 144.43 22.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.847 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 14' ' ' CYS . 14.5 tm-20 -36.74 -60.57 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.902 HG22 ' H ' ' A' ' 18' ' ' ASN . 79.0 m -52.87 123.74 33.42 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.622 0.725 . . . . 0.0 111.148 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 -1.78 9.08 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.643 2.229 . . . . 0.0 112.317 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.902 ' H ' HG22 ' A' ' 16' ' ' THR . 73.9 m-80 -109.78 -6.11 15.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.4 t -94.3 110.91 51.32 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.643 0.735 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -15.7 37.2 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.656 2.238 . . . . 0.0 112.382 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -80.24 148.07 30.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -83.7 160.6 21.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -100.74 122.11 42.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.447 ' N ' ' OG1' ' A' ' 27' ' ' THR . 2.4 m -70.62 178.26 3.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 48.9 t -75.96 -21.53 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -104.12 -4.45 23.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.456 ' C ' ' O ' ' A' ' 30' ' ' LEU . 64.4 p -110.96 -24.91 10.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.182 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.539 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 3.5 pt20 -51.92 151.75 6.13 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.551 0.691 . . . . 0.0 110.949 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.9 Cg_endo -69.73 -12.45 12.13 Favored 'Cis proline' 0 C--O 1.232 0.202 0 C-N-CA 122.649 -1.813 . . . . 0.0 112.391 -0.051 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.456 ' O ' ' C ' ' A' ' 27' ' ' THR . 80.0 mt -86.56 175.66 8.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 35' ' ' SER . 10.6 p -104.47 178.71 4.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -54.83 -45.78 74.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -62.3 -69.3 0.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 35' ' ' SER . 60.7 m -52.39 -53.41 45.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 31' ' ' CYS . 28.2 t -35.61 -67.41 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.53 ' CD ' ' N ' ' A' ' 37' ' ' ARG . 1.9 pp20? -65.45 -41.69 93.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.858 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.53 ' N ' ' CD ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -42.26 -45.5 4.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 24.7 ttp85 -64.01 -59.8 4.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -43.58 -43.33 5.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -45.72 -48.75 15.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.439 ' C ' ' OD1' ' A' ' 41' ' ' ASN . 11.1 p-10 -60.17 167.64 2.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.873 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -64.84 174.9 1.67 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -143.04 152.92 42.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.8 m 62.45 43.31 8.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -113.82 -107.23 2.76 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -48.99 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.254 . . . . 0.0 112.355 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.3 m -100.31 130.04 46.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 86.8 p -93.57 106.44 18.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.535 -179.963 . . . . . . . . 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 1.452 -0.276 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 m -106.16 136.09 46.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.906 0.384 . . . . 0.0 110.886 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.2 m -55.08 148.9 12.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.31 99.8 1.22 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.528 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 t -94.16 -57.24 2.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.937 0.398 . . . . 0.0 110.848 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.8 m -99.43 141.01 32.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.41 52.12 53.46 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.431 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.818 ' O ' HG23 ' A' ' 25' ' ' VAL . 2.4 t -100.09 161.66 13.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.906 0.384 . . . . 0.0 110.855 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.5 mt -83.49 144.41 29.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 12.6 mmt -100.54 160.09 14.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -82.22 17.91 1.54 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.3 t -108.72 130.14 62.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -59.23 152.76 19.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 15' ' ' GLU . 14.8 t -57.87 138.76 55.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.871 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 14' ' ' CYS . 34.5 tp10 -34.29 -51.28 0.44 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.894 HG22 ' H ' ' A' ' 18' ' ' ASN . 99.0 m -57.21 123.96 63.58 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.54 0.686 . . . . 0.0 111.158 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -0.92 7.56 Favored 'Trans proline' 0 C--N 1.34 0.116 0 C-N-CA 122.714 2.276 . . . . 0.0 112.338 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.894 ' H ' HG22 ' A' ' 16' ' ' THR . 15.7 m-20 -114.71 -13.34 12.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.3 t -89.21 110.54 39.21 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.62 0.724 . . . . 0.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -6.26 18.18 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.687 2.258 . . . . 0.0 112.341 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -70.54 172.58 8.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -113.06 153.04 28.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.403 ' HE2' ' O ' ' A' ' 29' ' ' PRO . 3.7 mtt -74.47 126.96 31.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 t -91.23 155.91 18.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.862 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.818 HG23 ' O ' ' A' ' 8' ' ' SER . 86.6 t -68.9 -11.82 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.161 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -118.04 -6.21 10.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.5 p -117.82 -13.89 10.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.538 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 7.3 pt20 -53.65 151.35 11.29 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.637 0.732 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.7 Cg_endo -69.76 -21.41 10.23 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.711 -1.787 . . . . 0.0 112.37 -0.008 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.467 HD11 ' HE ' ' A' ' 38' ' ' ARG . 26.6 mt -73.37 176.6 5.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 2.8 p -113.38 157.04 22.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.436 ' ND1' ' N ' ' A' ' 32' ' ' HIS . 0.0 OUTLIER -38.75 -66.4 0.28 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 179.93 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -39.12 -31.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.903 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 37' ' ' ARG . 68.2 m -89.13 -65.74 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 34' ' ' CYS . 2.5 t -35.1 -33.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.474 ' HG3' ' N ' ' A' ' 37' ' ' ARG . 20.5 pt-20 -72.44 -47.05 52.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 34' ' ' CYS . 17.9 ptt180 -69.31 -35.31 75.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.467 ' HE ' HD11 ' A' ' 30' ' ' LEU . 28.7 ttm-85 -64.87 -37.81 88.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 39.5 tp60 -76.16 -42.64 45.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -40.8 -40.95 1.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -101.91 173.53 6.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -126.04 143.91 50.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -114.19 141.35 47.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 63.1 m -74.61 -42.71 58.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.98 107.31 3.48 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.45 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 159.41 53.53 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.691 2.261 . . . . 0.0 112.367 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 31.0 t -102.93 159.2 15.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.9 p -62.69 -49.31 75.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.174 -0.792 . . . . 0.0 112.506 -179.984 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 1' ' ' GLY . 27.9 m -34.8 -61.19 0.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 0.0 110.816 -179.728 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.1 p -112.82 133.98 54.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.9 -73.91 0.29 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.495 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m 57.79 40.39 26.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.87 0.367 . . . . 0.0 110.843 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t -70.78 156.21 39.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.834 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.5 -177.35 20.77 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.499 ' O ' HG23 ' A' ' 25' ' ' VAL . 62.8 m -101.44 150.52 22.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.877 0.37 . . . . 0.0 110.879 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.6 mt -82.98 113.56 20.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.932 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.4 mmt -69.54 163.74 24.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -84.94 17.99 2.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 25.0 t -110.73 140.6 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -68.26 157.56 35.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.0 t -61.12 144.98 52.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.426 ' N ' ' HE2' ' A' ' 23' ' ' MET . 38.7 tt0 -41.83 -54.0 3.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.592 HG22 ' H ' ' A' ' 18' ' ' ASN . 7.2 m -52.02 126.24 33.98 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.554 0.692 . . . . 0.0 111.174 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -1.63 8.78 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.692 2.261 . . . . 0.0 112.37 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.592 ' H ' HG22 ' A' ' 16' ' ' THR . 67.8 m-20 -118.0 6.89 12.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.9 t -113.38 106.99 53.99 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.653 0.74 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 -16.29 37.17 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.686 2.258 . . . . 0.0 112.348 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.602 ' CE2' ' OE1' ' A' ' 33' ' ' GLU . 40.2 m-85 -56.0 160.23 2.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -101.34 147.91 25.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.44 ' HB3' ' CG ' ' A' ' 28' ' ' GLN . 3.1 mtt -73.42 140.12 46.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.852 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.79 157.64 16.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 8' ' ' SER . 58.5 t -68.39 -10.86 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.401 ' O ' ' OD1' ' A' ' 26' ' ' ASN . 6.9 t-20 -117.29 -14.49 10.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.519 HG21 ' CA ' ' A' ' 32' ' ' HIS . 22.6 p -108.98 -13.92 14.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.537 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 20.8 mt-30 -55.54 152.38 17.94 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.623 0.725 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.8 Cg_endo -69.7 -22.68 9.44 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.367 -0.05 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 62.7 mt -73.05 175.5 6.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.462 ' O ' ' C ' ' A' ' 32' ' ' HIS . 8.4 p -106.92 148.9 28.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.519 ' CA ' HG21 ' A' ' 27' ' ' THR . 0.0 OUTLIER -31.99 -56.7 0.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.836 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.602 ' OE1' ' CE2' ' A' ' 21' ' ' PHE . 6.6 mt-10 -47.88 -51.01 24.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 36' ' ' GLU . 84.3 m -77.83 -63.35 1.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.48 ' C ' ' O ' ' A' ' 34' ' ' CYS . 84.0 p -32.05 -37.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.843 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 34' ' ' CYS . 20.0 pt-20 -90.04 -42.41 11.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 34' ' ' CYS . 29.2 ttt180 -51.76 -39.76 59.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 46.5 ttt180 -63.78 -55.4 23.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -40.92 -47.17 2.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.9 tptp -49.32 -58.39 5.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -83.78 131.76 34.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -83.93 145.2 28.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.952 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -162.95 162.89 26.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.5 t 58.6 45.29 16.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -130.56 -83.64 0.3 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.477 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 3.1 2.96 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.69 2.26 . . . . 0.0 112.345 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.9 p -80.96 138.04 36.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 59.7 p -61.24 126.49 27.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.098 -0.835 . . . . 0.0 112.524 179.984 . . . . . . . . 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 -0.312 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t -144.54 170.61 15.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.899 0.38 . . . . 0.0 110.858 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.1 p -148.87 150.33 32.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.34 -105.29 0.46 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.534 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.0 m -47.42 -48.21 26.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.844 0.354 . . . . 0.0 110.855 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.0 t -60.15 -53.8 53.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.15 165.31 33.97 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.468 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.618 ' O ' HG23 ' A' ' 25' ' ' VAL . 11.1 t -138.3 121.0 16.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.925 0.393 . . . . 0.0 110.852 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 75.8 mt -52.73 116.75 2.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.1 mtp -79.78 175.46 10.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.0 p-10 -84.68 16.89 2.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.5 t -107.14 154.46 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.523 ' CE ' ' N ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -81.98 145.79 30.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 15' ' ' GLU . 35.4 t -52.87 142.41 19.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 14' ' ' CYS . 28.6 tp10 -35.08 -53.85 0.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.894 HG22 ' H ' ' A' ' 18' ' ' ASN . 88.6 m -60.71 122.68 70.15 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.602 0.715 . . . . 0.0 111.116 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 0.89 5.04 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.653 2.236 . . . . 0.0 112.317 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.894 ' H ' HG22 ' A' ' 16' ' ' THR . 33.0 m-80 -112.96 -9.17 13.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 33.8 t -90.39 109.9 37.02 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.658 0.742 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -1.08 7.84 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.737 2.291 . . . . 0.0 112.316 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -91.47 152.09 20.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -90.02 149.21 22.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -80.75 134.59 35.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.413 ' HB3' HG23 ' A' ' 27' ' ' THR . 1.1 t -82.33 175.09 10.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 8' ' ' SER . 60.1 t -77.73 -20.39 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.128 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -111.56 1.99 17.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.413 HG23 ' HB3' ' A' ' 24' ' ' SER . 24.9 p -117.99 -15.87 9.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.133 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.552 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 14.1 pt20 -54.71 151.12 15.83 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.604 0.716 . . . . 0.0 110.943 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.9 Cg_endo -69.78 -21.36 10.29 Favored 'Cis proline' 0 C--O 1.232 0.184 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.326 0.047 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.421 HD22 ' CB ' ' A' ' 34' ' ' CYS . 34.8 mt -74.05 172.95 10.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 6.3 p -105.27 178.08 4.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -54.98 -53.61 53.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -52.03 -65.03 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 35' ' ' SER . 80.9 m -53.23 -58.66 6.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 34' ' ' CYS . 8.6 t -35.58 -67.91 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.476 ' HA ' ' CG ' ' A' ' 39' ' ' GLN . 19.1 pt-20 -60.37 -40.94 92.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.4 ttt-85 -54.93 -33.67 62.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 39' ' ' GLN . 5.6 tpt180 -84.25 -67.92 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.476 ' CG ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -37.91 -41.81 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.9 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.6 mttp -47.67 -48.51 29.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -69.84 165.89 20.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.7 mp0 -108.35 115.5 30.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 -39.24 -42.68 1.02 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.3 m -74.37 125.12 27.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.57 -112.24 2.83 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -4.55 14.23 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.732 2.288 . . . . 0.0 112.313 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.0 m -94.32 159.22 15.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.2 t -137.58 156.2 48.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.836 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.104 -0.831 . . . . 0.0 112.513 -179.965 . . . . . . . . 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 -0.301 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 m -44.44 -49.58 9.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 0.0 110.826 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.4 m -120.37 139.32 52.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.3 93.47 0.64 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.531 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -145.24 123.03 11.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.878 0.371 . . . . 0.0 110.847 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.6 m -73.43 113.23 10.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -40.4 151.26 0.11 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.473 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.3 t -149.01 121.98 8.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.923 0.392 . . . . 0.0 110.889 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 76.3 mt -57.13 104.31 0.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.463 ' SD ' HG22 ' A' ' 25' ' ' VAL . 16.4 mtm -75.04 174.56 9.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.5 p30 -83.97 10.74 9.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.9 t -94.42 132.6 38.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.124 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -64.97 149.32 49.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 15' ' ' GLU . 41.4 t -58.21 142.38 47.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 14' ' ' CYS . 4.9 tm-20 -35.0 -62.32 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.857 HG22 ' H ' ' A' ' 18' ' ' ASN . 90.6 m -52.01 124.3 28.66 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.584 0.706 . . . . 0.0 111.177 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 1.32 4.53 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.719 2.279 . . . . 0.0 112.331 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.857 ' H ' HG22 ' A' ' 16' ' ' THR . 47.1 t30 -111.52 -13.85 13.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.6 t -89.82 109.9 35.82 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.639 0.733 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -17.58 37.52 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.644 2.23 . . . . 0.0 112.37 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -71.1 147.63 48.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.402 ' O ' ' HB2' ' A' ' 31' ' ' CYS . 62.8 m-85 -84.83 153.17 23.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.6 ptp -94.25 128.96 41.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.429 ' HB3' HG23 ' A' ' 27' ' ' THR . 0.9 OUTLIER -74.61 177.85 5.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.803 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.463 HG22 ' SD ' ' A' ' 10' ' ' MET . 57.3 t -77.25 -24.0 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.184 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -106.54 0.35 24.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.462 ' C ' ' O ' ' A' ' 30' ' ' LEU . 28.8 p -113.29 -25.84 8.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.535 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 10.4 pt20 -52.18 153.91 4.52 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.623 0.725 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.5 Cg_endo -69.78 -10.9 11.76 Favored 'Cis proline' 0 C--O 1.231 0.147 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.358 0.037 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.462 ' O ' ' C ' ' A' ' 27' ' ' THR . 93.7 mt -86.76 165.84 15.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.461 ' O ' ' C ' ' A' ' 32' ' ' HIS . 10.1 p -100.58 152.95 19.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.461 ' C ' ' O ' ' A' ' 31' ' ' CYS . 2.0 t-160 -32.0 -44.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -62.19 -58.87 6.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.47 ' HA ' ' CD ' ' A' ' 37' ' ' ARG . 81.3 m -66.58 -15.37 63.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.9 t -84.13 -46.52 11.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -66.89 -30.39 70.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.47 ' CD ' ' HA ' ' A' ' 34' ' ' CYS . 48.1 ptt85 -76.52 -41.04 48.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.891 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.3 mmm-85 -70.97 -50.11 38.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -45.43 -35.28 3.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.6 tptt -48.44 -44.44 35.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -70.17 143.79 52.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -51.5 -42.44 61.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -41.88 -56.44 2.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.9 t -99.13 136.42 39.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.66 175.63 41.51 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.447 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 2.56 3.42 Favored 'Trans proline' 0 C--O 1.231 0.131 0 C-N-CA 122.701 2.267 . . . . 0.0 112.326 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 65.3 m -97.62 119.77 36.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 68.8 m -128.89 147.49 50.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.835 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 CA-C-O 119.184 -0.786 . . . . 0.0 112.464 -179.987 . . . . . . . . 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 1.452 -0.297 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.2 m -96.48 156.26 16.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.889 0.376 . . . . 0.0 110.864 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.6 t -39.09 -50.65 1.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.874 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.11 140.95 15.33 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.6 m -95.92 128.89 43.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.921 0.391 . . . . 0.0 110.826 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.7 t -132.1 104.77 6.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.842 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.88 73.82 0.22 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.506 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.443 ' O ' HG23 ' A' ' 25' ' ' VAL . 25.9 t -81.84 127.89 33.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.895 0.378 . . . . 0.0 110.888 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.2 mt -58.36 136.5 57.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.6 mmt -88.98 165.55 14.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -82.79 16.68 2.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.813 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.528 HG13 ' SD ' ' A' ' 23' ' ' MET . 12.4 p -115.34 136.0 53.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.105 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -65.76 158.89 26.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.8 t -62.1 144.29 55.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -45.26 -47.81 12.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.916 HG22 ' H ' ' A' ' 18' ' ' ASN . 46.0 m -54.61 126.78 57.73 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.526 0.679 . . . . 0.0 111.168 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -4.82 14.79 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.663 2.242 . . . . 0.0 112.372 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.916 ' H ' HG22 ' A' ' 16' ' ' THR . 8.2 m-20 -118.01 13.52 13.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.432 ' HA ' ' HD2' ' A' ' 20' ' ' PRO . 12.0 t -120.0 106.72 40.83 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.657 0.741 . . . . 0.0 110.914 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 19' ' ' CYS . 53.1 Cg_endo -69.79 -18.09 37.08 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.632 2.221 . . . . 0.0 112.316 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.43 ' CE2' ' HG3' ' A' ' 33' ' ' GLU . 45.8 m-85 -55.64 165.48 0.84 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -104.9 152.94 22.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.528 ' SD ' HG13 ' A' ' 12' ' ' VAL . 2.4 mtt -77.65 118.68 20.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.472 ' HB2' HG23 ' A' ' 27' ' ' THR . 11.9 m -80.49 175.06 11.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.863 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 8' ' ' SER . 96.8 t -77.24 -24.29 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.13 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -108.65 1.79 21.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.722 HG21 ' HA ' ' A' ' 32' ' ' HIS . 24.7 p -117.57 -15.74 10.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.113 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.555 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 17.2 pt20 -55.3 146.08 43.59 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.589 0.709 . . . . 0.0 110.921 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.5 Cg_endo -69.77 -25.08 8.24 Favored 'Cis proline' 0 C--O 1.232 0.2 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.339 -0.032 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 75.5 mt -68.28 178.34 1.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.4 p -105.17 179.15 4.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.722 ' HA ' HG21 ' A' ' 27' ' ' THR . 2.7 t-160 -55.92 -54.76 40.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.463 ' O ' ' CG ' ' A' ' 36' ' ' GLU . 6.2 mm-40 -51.76 -66.42 0.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 74.3 m -52.29 -55.29 22.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.2 t -38.79 -58.3 1.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.472 ' HG3' ' N ' ' A' ' 37' ' ' ARG . 5.2 pt-20 -63.96 -36.11 82.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.852 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.472 ' N ' ' HG3' ' A' ' 36' ' ' GLU . 54.3 mtt-85 -60.64 -41.99 96.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.838 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 30.2 ttp180 -73.26 -42.49 62.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.839 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.405 ' O ' ' N ' ' A' ' 41' ' ' ASN . 10.0 mm100 -64.87 -58.17 6.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.464 ' HG3' ' N ' ' A' ' 41' ' ' ASN . 21.0 pttt -37.51 -32.37 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.464 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 1.5 p-10 -40.61 -44.49 2.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.828 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -129.49 135.75 49.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -61.33 162.31 7.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.5 t -42.95 -57.34 2.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -50.01 124.71 17.69 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 84.33 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 84.7 p -91.9 132.87 36.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 t -67.83 -52.39 37.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.484 179.999 . . . . . . . . 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 1.451 -0.357 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -81.62 -61.03 2.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.857 0.36 . . . . 0.0 110.881 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.9 m -84.69 -53.71 5.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.21 86.8 0.49 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.474 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.4 m -105.62 169.14 8.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.857 0.361 . . . . 0.0 110.867 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.4 p -77.84 137.14 38.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.01 -165.6 40.82 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.459 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.728 ' O ' HG23 ' A' ' 25' ' ' VAL . 60.7 m -148.37 122.05 9.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.848 0.356 . . . . 0.0 110.887 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.452 HD22 ' HB2' ' A' ' 22' ' ' PHE . 19.8 mt -63.3 121.11 12.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.967 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.5 mmt -75.91 167.85 21.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -81.38 15.31 2.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.491 HG13 ' SD ' ' A' ' 23' ' ' MET . 11.8 p -111.18 139.41 35.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -68.28 153.85 42.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 15' ' ' GLU . 13.1 t -56.07 138.06 50.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.871 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.48 ' N ' ' HE2' ' A' ' 23' ' ' MET . 13.1 tp10 -34.57 -46.77 0.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.853 HG22 ' H ' ' A' ' 18' ' ' ASN . 45.5 m -62.12 125.45 85.42 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.568 0.699 . . . . 0.0 111.116 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -6.57 18.91 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.662 2.242 . . . . 0.0 112.354 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.853 ' H ' HG22 ' A' ' 16' ' ' THR . 47.1 m-20 -114.11 14.23 18.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.852 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 12.5 t -119.24 114.66 34.76 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.634 0.73 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -22.74 31.86 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.712 2.275 . . . . 0.0 112.362 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -54.11 159.66 1.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.452 ' HB2' HD22 ' A' ' 9' ' ' LEU . 76.2 m-85 -105.26 146.67 28.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.491 ' SD ' HG13 ' A' ' 12' ' ' VAL . 4.6 mtt -68.18 125.92 27.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.405 ' HB3' HG23 ' A' ' 27' ' ' THR . 1.0 OUTLIER -88.56 155.18 19.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.859 -179.82 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 8' ' ' SER . 6.7 t -67.95 -12.84 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.127 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -118.03 -5.48 10.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.405 HG23 ' HB3' ' A' ' 24' ' ' SER . 27.8 p -116.24 -15.89 11.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.182 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.541 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 19.7 pt20 -52.43 152.26 6.54 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.565 0.698 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.6 Cg_endo -69.78 -24.81 8.38 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.719 -1.784 . . . . 0.0 112.314 0.033 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 52.9 mt -72.81 172.07 11.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.461 ' O ' ' C ' ' A' ' 32' ' ' HIS . 13.6 p -104.41 153.64 20.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.461 ' C ' ' O ' ' A' ' 31' ' ' CYS . 1.7 t-80 -32.83 -54.94 0.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 3.8 tp10 -51.37 -68.3 0.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 37' ' ' ARG . 79.8 m -58.97 -63.18 1.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 34' ' ' CYS . 19.1 m -34.94 -55.63 0.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 33' ' ' GLU . 4.8 pt-20 -69.34 -34.87 75.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 34' ' ' CYS . 19.5 tpt180 -54.08 -51.97 62.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -52.35 -44.66 65.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -48.94 -54.69 14.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.5 tptp -40.37 -47.08 2.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -61.35 119.83 9.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.502 ' C ' ' CG ' ' A' ' 43' ' ' ASN . 4.7 mp0 -79.23 -57.99 3.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.502 ' CG ' ' C ' ' A' ' 42' ' ' GLN . 0.5 OUTLIER 51.47 41.66 28.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.4 ' O ' ' HD3' ' A' ' 46' ' ' PRO . 18.9 p 52.37 41.0 30.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.829 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.24 100.09 2.13 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.531 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 44' ' ' SER . 53.7 Cg_endo -69.8 96.13 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.637 2.225 . . . . 0.0 112.356 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 79.2 p -113.13 176.05 5.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.8 m -164.08 170.8 16.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.882 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.534 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 1' ' ' GLY . 31.0 p -35.95 -43.47 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.886 0.374 . . . . 0.0 110.844 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t 65.38 41.96 4.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.33 40.09 1.51 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.471 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 t -96.39 132.38 41.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.833 0.349 . . . . 0.0 110.88 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.8 p 52.38 38.61 25.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.831 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.12 -176.51 54.65 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.447 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.2 t -142.18 133.09 25.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.892 0.377 . . . . 0.0 110.849 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.0 mt -61.88 107.88 0.92 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.9 mmt -74.53 175.58 7.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -83.44 16.18 2.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.553 HG13 ' HG3' ' A' ' 23' ' ' MET . 6.3 p -110.96 137.97 41.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.139 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.478 ' O ' ' HE2' ' A' ' 23' ' ' MET . 4.0 mppt? -71.85 152.09 42.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 21' ' ' PHE . 23.6 t -52.55 138.72 27.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 14' ' ' CYS . 14.9 tp10 -35.61 -56.43 0.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.772 HG22 ' H ' ' A' ' 18' ' ' ASN . 32.1 m -52.12 122.72 24.67 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.564 0.697 . . . . 0.0 111.153 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -4.58 14.34 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.651 2.234 . . . . 0.0 112.314 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.772 ' H ' HG22 ' A' ' 16' ' ' THR . 12.1 m-80 -109.85 -6.72 15.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 11.7 t -95.14 109.57 45.41 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.677 0.751 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -5.68 16.78 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.677 2.252 . . . . 0.0 112.372 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.538 ' CD1' ' OE2' ' A' ' 33' ' ' GLU . 87.8 m-85 -85.47 148.15 26.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -85.71 160.02 19.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.553 ' HG3' HG13 ' A' ' 12' ' ' VAL . 0.4 OUTLIER -102.72 119.88 39.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.43 ' N ' ' OG1' ' A' ' 27' ' ' THR . 51.4 m -73.39 174.52 8.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.6 t -72.77 -21.72 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.166 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -104.29 -0.17 28.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 30' ' ' LEU . 69.7 p -117.48 -23.86 7.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.543 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 9.0 pt20 -51.98 151.25 6.78 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.552 0.692 . . . . 0.0 110.919 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.4 Cg_endo -69.7 -15.6 12.3 Favored 'Cis proline' 0 C--O 1.231 0.172 0 C-N-CA 122.74 -1.775 . . . . 0.0 112.349 -0.062 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.479 HD22 ' CB ' ' A' ' 34' ' ' CYS . 43.0 mt -82.94 174.46 10.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.402 ' O ' ' HB3' ' A' ' 35' ' ' SER . 29.7 p -106.07 178.17 4.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.939 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -59.27 -36.09 74.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.538 ' OE2' ' CD1' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -66.85 -50.27 63.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.479 ' CB ' HD22 ' A' ' 30' ' ' LEU . 85.5 m -75.03 -24.12 58.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.485 ' HA ' ' CD ' ' A' ' 38' ' ' ARG . 6.7 t -82.84 -33.81 27.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.491 ' O ' ' CG ' ' A' ' 39' ' ' GLN . 0.2 OUTLIER -79.61 -35.24 39.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.846 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -76.32 -32.83 58.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.485 ' CD ' ' HA ' ' A' ' 35' ' ' SER . 21.8 ptt180 -72.01 -35.89 69.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.491 ' CG ' ' O ' ' A' ' 36' ' ' GLU . 12.2 pt20 -65.64 -34.57 78.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -55.5 -38.4 69.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -45.42 -46.31 13.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 56.84 45.62 21.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -88.77 -54.36 4.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 97.0 p -63.51 159.54 18.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.834 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 102.82 136.95 9.33 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.494 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -50.32 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.649 2.233 . . . . 0.0 112.363 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 71.0 m -47.18 -46.02 23.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 57.8 m -86.66 143.58 27.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.492 -179.986 . . . . . . . . 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 -0.354 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.8 p -58.08 -45.98 86.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.844 0.354 . . . . 0.0 110.85 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 m -67.22 -56.46 9.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.67 141.16 2.8 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.9 p -91.14 129.35 37.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.889 0.376 . . . . 0.0 110.869 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.8 p -70.73 -48.71 53.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.821 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.75 142.59 48.28 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.484 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.855 ' O ' HG23 ' A' ' 25' ' ' VAL . 4.7 p -100.14 130.47 46.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.914 0.388 . . . . 0.0 110.886 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.469 HD22 ' HB2' ' A' ' 22' ' ' PHE . 20.6 mt -62.33 166.65 4.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.933 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 9.5 mmt -119.7 172.2 7.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.26 14.35 8.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.44 HG22 ' N ' ' A' ' 13' ' ' LYS . 13.1 p -113.04 155.51 14.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.511 ' CE ' ' N ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -85.03 157.26 20.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 179.876 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.2 t -56.61 144.36 32.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.504 ' N ' ' HE2' ' A' ' 23' ' ' MET . 7.7 tt0 -40.52 -55.51 2.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.939 HG22 ' H ' ' A' ' 18' ' ' ASN . 53.0 m -53.48 124.6 41.45 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.654 0.74 . . . . 0.0 111.154 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 1.24 4.61 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.719 2.279 . . . . 0.0 112.292 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.939 ' H ' HG22 ' A' ' 16' ' ' THR . 18.0 m120 -117.52 -7.38 11.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.0 t -95.69 115.38 65.46 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.652 0.739 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -28.12 25.93 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.668 2.245 . . . . 0.0 112.37 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -52.56 161.98 0.62 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.469 ' HB2' HD22 ' A' ' 9' ' ' LEU . 24.6 m-85 -106.73 157.98 17.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.877 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.504 ' HE2' ' N ' ' A' ' 15' ' ' GLU . 6.5 mtt -75.06 140.84 43.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.423 ' HB3' HG23 ' A' ' 27' ' ' THR . 1.1 t -107.34 164.43 12.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.855 HG23 ' O ' ' A' ' 8' ' ' SER . 62.1 t -71.68 -17.06 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.138 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.84 -2.96 11.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.532 HG21 ' HA ' ' A' ' 32' ' ' HIS . 21.7 p -116.55 -20.79 9.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.536 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 17.0 pt20 -51.95 153.02 4.86 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.613 0.72 . . . . 0.0 110.935 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.8 Cg_endo -69.74 -18.45 11.61 Favored 'Cis proline' 0 C--N 1.342 0.209 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.353 -0.024 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.2 mt -76.38 178.24 6.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.9 p -103.05 169.47 8.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.846 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.532 ' HA ' HG21 ' A' ' 27' ' ' THR . 0.6 OUTLIER -47.29 -49.1 24.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.843 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.507 ' H ' ' CD2' ' A' ' 32' ' ' HIS . 27.5 tt0 -56.13 -68.56 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 35' ' ' SER . 78.8 m -49.33 -58.47 5.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 34' ' ' CYS . 6.7 t -34.48 -53.9 0.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -73.0 -39.17 66.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -47.27 -44.49 23.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 25.0 ttt180 -65.23 -46.65 79.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -53.68 -48.29 69.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 35.1 tttm -46.04 -56.1 6.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -91.06 119.05 30.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -114.53 167.18 10.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -134.87 150.69 50.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.9 t -63.67 152.7 38.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 141.24 146.74 4.79 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.501 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -1.39 8.39 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.694 2.263 . . . . 0.0 112.324 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 42.7 m -47.35 -60.63 2.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 57.8 m -52.37 -51.62 57.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.171 -0.794 . . . . 0.0 112.464 -179.964 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.1 p . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.932 0.396 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 71.1 mt -52.85 111.93 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.4 mmt -87.49 178.29 6.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -79.15 11.2 2.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 81.1 t -99.16 132.2 44.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -72.19 150.13 44.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.1 t -52.23 142.03 17.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -38.59 -61.27 0.72 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.891 HG22 ' H ' ' A' ' 18' ' ' ASN . 90.8 m -51.98 124.05 27.71 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.525 0.679 . . . . 0.0 111.125 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -1.19 8.06 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.704 2.269 . . . . 0.0 112.37 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.891 ' H ' HG22 ' A' ' 16' ' ' THR . 25.3 m120 -107.09 -17.89 14.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 9.1 t -84.79 110.31 26.88 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.629 0.728 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -8.99 25.01 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.665 2.243 . . . . 0.0 112.362 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -84.0 154.38 23.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -89.82 159.01 17.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.5 ptp -94.6 127.45 40.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.71 176.26 7.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.6 t -77.01 -19.89 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.118 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -109.73 -2.88 17.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 30' ' ' LEU . 34.4 p -111.54 -21.68 11.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.141 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.55 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 10.1 pt20 -51.96 151.52 6.45 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.628 0.728 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.55 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.5 Cg_endo -69.78 -17.29 12.04 Favored 'Cis proline' 0 C--O 1.232 0.193 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.382 -0.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 27' ' ' THR . 89.0 mt -81.05 170.72 15.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.6 p -101.92 178.55 4.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.826 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -56.31 -39.84 73.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.818 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -64.08 -65.92 0.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 35' ' ' SER . 56.7 m -56.91 -53.67 55.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 34' ' ' CYS . 28.1 t -35.81 -68.15 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 37' ' ' ARG . 12.1 pt-20 -57.53 -43.13 84.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.442 ' N ' ' HG3' ' A' ' 36' ' ' GLU . 34.6 mtp85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.887 0.375 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 31.1 mt -54.78 107.24 0.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 25.4 mtp -68.97 172.73 6.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -89.04 12.6 15.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.581 HG13 ' CG ' ' A' ' 23' ' ' MET . 7.7 p -112.39 139.61 36.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.407 ' O ' ' HE3' ' A' ' 23' ' ' MET . 3.6 mppt? -65.98 151.71 46.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.5 t -52.7 142.01 19.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -38.57 -55.34 1.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.92 HG22 ' H ' ' A' ' 18' ' ' ASN . 87.6 m -52.18 124.33 30.11 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.538 0.685 . . . . 0.0 111.116 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 0.21 5.97 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.662 2.241 . . . . 0.0 112.33 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.92 ' H ' HG22 ' A' ' 16' ' ' THR . 34.4 m-80 -115.17 -9.17 12.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 20' ' ' PRO . 10.2 t -95.51 108.94 42.84 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.592 0.711 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 19' ' ' CYS . 53.8 Cg_endo -69.74 -16.36 37.61 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.686 2.257 . . . . 0.0 112.326 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -70.36 146.35 50.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -82.08 155.25 25.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.581 ' CG ' HG13 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -96.22 119.28 34.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.5 m -70.47 177.36 3.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 62.8 t -75.65 -24.82 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.115 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -102.94 -1.33 29.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.599 HG21 ' CA ' ' A' ' 32' ' ' HIS . 38.5 p -114.68 -23.81 9.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.536 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 24.5 pt20 -52.41 152.04 6.75 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.602 0.715 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.7 Cg_endo -69.74 -10.21 11.35 Favored 'Cis proline' 0 C--O 1.232 0.205 0 C-N-CA 122.751 -1.77 . . . . 0.0 112.323 0.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 27' ' ' THR . 77.0 mt -87.67 175.69 7.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.5 ' O ' ' N ' ' A' ' 34' ' ' CYS . 15.7 p -106.84 149.45 27.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.599 ' CA ' HG21 ' A' ' 27' ' ' THR . 2.5 t-160 -34.72 -50.35 0.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -54.02 -42.66 69.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.5 ' N ' ' O ' ' A' ' 31' ' ' CYS . 57.1 m -78.7 -58.11 3.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 34' ' ' CYS . 13.4 t -34.21 -56.71 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 37' ' ' ARG . 12.2 pt-20 -49.92 -41.69 46.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 34' ' ' CYS . 26.1 mmm180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.778 ' O ' HG23 ' A' ' 25' ' ' VAL . 8.7 t . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.885 0.374 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 36.5 mt -74.71 138.79 43.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.0 mmt -96.87 167.58 11.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.8 p30 -83.23 15.38 2.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.7 p -111.79 134.97 52.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -64.03 156.56 27.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.6 t -61.06 145.67 50.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -40.23 -58.55 1.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.902 HG22 ' H ' ' A' ' 18' ' ' ASN . 58.8 m -51.96 124.97 30.22 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.543 0.687 . . . . 0.0 111.145 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 3.15 2.95 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.649 2.233 . . . . 0.0 112.332 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.902 ' H ' HG22 ' A' ' 16' ' ' THR . 5.3 m-80 -115.58 -14.29 11.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 11.4 t -90.74 111.76 49.62 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.646 0.736 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -16.8 37.62 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.697 2.265 . . . . 0.0 112.366 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -60.77 170.84 1.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -111.33 154.41 24.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.3 mtt -74.3 119.67 18.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.927 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.438 ' CB ' ' OG1' ' A' ' 27' ' ' THR . 1.0 OUTLIER -77.6 176.82 8.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.849 -179.791 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 8' ' ' SER . 88.2 t -82.79 -22.34 8.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.116 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -114.23 0.24 14.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.603 HG21 ' HA ' ' A' ' 32' ' ' HIS . 32.7 p -113.91 -14.9 12.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.548 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 13.8 pt20 -52.69 148.23 13.52 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.588 0.708 . . . . 0.0 110.953 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 54.1 Cg_endo -69.73 -25.08 8.22 Favored 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.383 -0.014 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 24.8 mt -68.18 176.88 2.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 12.9 p -106.23 178.22 4.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.856 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.603 ' HA ' HG21 ' A' ' 27' ' ' THR . 2.6 t-160 -55.83 -52.97 62.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.801 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -50.77 -58.95 4.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.462 ' O ' ' C ' ' A' ' 35' ' ' SER . 72.2 m -61.61 -63.27 1.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 34' ' ' CYS . 4.1 t -33.33 -64.01 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.485 ' OE1' ' CD2' ' A' ' 32' ' ' HIS . 9.1 pt-20 -64.17 -43.9 93.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 -179.907 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.3 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.945 0.402 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.02 107.19 0.69 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.7 mmt -73.54 167.55 21.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -82.44 12.83 4.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.8 t -103.22 135.69 39.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.15 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -65.15 149.48 49.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 15' ' ' GLU . 13.2 t -53.59 140.68 27.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 14' ' ' CYS . 13.2 tp10 -36.58 -58.94 0.7 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.947 HG22 ' H ' ' A' ' 18' ' ' ASN . 54.4 m -52.04 124.9 30.63 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.564 0.697 . . . . 0.0 111.17 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 0.75 5.25 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.645 2.23 . . . . 0.0 112.306 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.947 ' H ' HG22 ' A' ' 16' ' ' THR . 27.5 m120 -115.09 -2.23 12.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.411 ' HA ' ' HD2' ' A' ' 20' ' ' PRO . 8.7 t -103.89 107.57 57.18 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.637 0.732 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 19' ' ' CYS . 53.1 Cg_endo -69.83 -14.0 35.26 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.719 2.279 . . . . 0.0 112.308 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -70.29 145.02 51.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -84.35 145.57 28.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -89.81 125.35 35.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.414 ' N ' ' OG1' ' A' ' 27' ' ' THR . 40.1 m -75.54 178.04 6.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.7 t -74.86 -27.71 20.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -99.17 -3.2 34.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 30' ' ' LEU . 36.2 p -113.38 -25.99 8.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.181 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.539 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 5.1 pt20 -51.98 151.97 6.02 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.66 0.743 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 54.1 Cg_endo -69.72 -13.54 12.32 Favored 'Cis proline' 0 C--O 1.232 0.212 0 C-N-CA 122.657 -1.81 . . . . 0.0 112.375 -0.078 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 27' ' ' THR . 72.3 mt -83.52 169.91 14.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.457 ' O ' ' C ' ' A' ' 32' ' ' HIS . 13.9 p -105.65 153.1 22.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.457 ' C ' ' O ' ' A' ' 31' ' ' CYS . 2.0 t-160 -33.45 -55.85 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -50.35 -51.29 46.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 35' ' ' SER . 99.6 m -68.33 -61.51 1.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 34' ' ' CYS . 46.6 t -34.4 -63.15 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.445 ' HG3' ' N ' ' A' ' 37' ' ' ARG . 17.5 pt-20 -55.52 -47.38 76.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.445 ' N ' ' HG3' ' A' ' 36' ' ' GLU . 48.7 mtt-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.494 ' O ' HG23 ' A' ' 25' ' ' VAL . 4.1 m . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.897 0.38 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 74.3 mt -66.45 122.23 17.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.966 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 23.1 mtp -80.4 172.57 13.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -86.52 15.33 5.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.534 HG13 ' CG ' ' A' ' 23' ' ' MET . 5.7 p -115.11 139.75 39.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -68.43 157.14 36.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.948 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 15' ' ' GLU . 32.4 t -57.8 138.36 55.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.867 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 14' ' ' CYS . 15.4 tp10 -34.46 -60.91 0.41 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.923 HG22 ' H ' ' A' ' 18' ' ' ASN . 52.6 m -52.07 124.64 30.2 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.541 0.686 . . . . 0.0 111.14 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -2.57 10.41 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.638 2.226 . . . . 0.0 112.331 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.923 ' H ' HG22 ' A' ' 16' ' ' THR . 5.0 t-20 -106.15 -16.95 14.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.0 t -88.47 110.16 34.53 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.605 0.717 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -15.52 37.29 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.695 2.263 . . . . 0.0 112.368 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -75.05 150.41 38.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -86.44 155.98 20.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.534 ' CG ' HG13 ' A' ' 12' ' ' VAL . 2.1 ptp -91.23 124.21 35.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.46 ' N ' ' OG1' ' A' ' 27' ' ' THR . 1.2 t -70.17 178.42 2.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 8' ' ' SER . 99.5 t -76.98 -27.81 16.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -104.98 1.09 28.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.46 ' OG1' ' N ' ' A' ' 24' ' ' SER . 40.5 p -111.77 -24.85 9.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.159 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.535 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 11.6 pt20 -52.03 152.56 5.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.623 0.725 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.6 Cg_endo -69.81 -11.14 11.91 Favored 'Cis proline' 0 C--O 1.232 0.213 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.344 0.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.457 ' O ' ' C ' ' A' ' 27' ' ' THR . 62.3 mt -86.4 170.73 11.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.915 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.4 ' O ' ' C ' ' A' ' 32' ' ' HIS . 11.6 p -103.77 159.11 15.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.5 ' CD2' ' C ' ' A' ' 32' ' ' HIS . 1.0 OUTLIER -38.52 -52.53 1.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.825 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.12 -59.92 3.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 75.0 m -62.04 -63.02 1.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.8 t -43.62 -26.74 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -86.05 -63.24 1.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.895 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.879 0.371 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.4 mt -55.57 116.46 2.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.2 mmm -89.25 173.48 8.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -77.08 5.57 7.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.425 ' CG1' ' HE3' ' A' ' 23' ' ' MET . 99.0 t -88.02 128.54 40.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -65.32 145.0 56.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 15' ' ' GLU . 32.5 t -51.98 144.34 12.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.875 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 14' ' ' CYS . 4.9 tm-20 -35.05 -61.0 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.923 HG22 ' H ' ' A' ' 18' ' ' ASN . 52.3 m -57.88 124.66 70.31 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.627 0.727 . . . . 0.0 111.141 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 0.22 5.97 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.697 2.265 . . . . 0.0 112.351 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.923 ' H ' HG22 ' A' ' 16' ' ' THR . 13.7 m120 -107.26 -21.3 13.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.8 t -78.56 112.73 28.77 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.649 0.738 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -4.19 13.5 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.677 2.251 . . . . 0.0 112.358 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -89.42 155.32 19.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -92.7 153.47 18.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.86 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.425 ' HE3' ' CG1' ' A' ' 12' ' ' VAL . 0.7 OUTLIER -87.72 128.08 35.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.45 ' HB3' HG23 ' A' ' 27' ' ' THR . 1.1 t -74.61 177.73 5.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 86.3 t -77.71 -26.04 14.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.1 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -106.01 -0.33 25.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.45 HG23 ' HB3' ' A' ' 24' ' ' SER . 27.6 p -112.74 -19.03 12.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.156 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.555 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 3.4 pt20 -52.76 151.19 8.52 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.533 0.682 . . . . 0.0 110.959 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.7 Cg_endo -69.76 -22.76 9.44 Favored 'Cis proline' 0 C--O 1.232 0.213 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.317 0.031 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.416 HD23 ' HB3' ' A' ' 15' ' ' GLU . 85.5 mt -74.34 174.18 9.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 12.2 p -106.22 177.98 4.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -54.79 -52.51 62.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -52.31 -63.8 1.02 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.429 ' O ' ' N ' ' A' ' 37' ' ' ARG . 80.8 m -56.44 -61.01 2.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.5 t -42.53 -38.28 1.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -65.24 -37.74 88.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 34' ' ' CYS . 30.1 mmm180 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.2 t . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.909 0.385 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.4 mt -56.07 105.0 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.3 mtp -75.05 174.5 9.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -85.02 8.56 17.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.491 HG12 ' HE3' ' A' ' 23' ' ' MET . 36.2 t -90.97 126.39 43.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.464 ' O ' ' HE3' ' A' ' 23' ' ' MET . 3.4 mppt? -60.84 142.45 56.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 15' ' ' GLU . 40.1 t -52.19 137.99 26.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 14' ' ' CYS . 2.5 tm-20 -35.06 -56.15 0.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.897 HG22 ' H ' ' A' ' 18' ' ' ASN . 99.3 m -54.49 123.39 43.54 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.564 0.697 . . . . 0.0 111.163 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 0.41 5.66 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.693 2.262 . . . . 0.0 112.353 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.897 ' H ' HG22 ' A' ' 16' ' ' THR . 5.1 m-20 -113.54 -9.51 13.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.4 ' HA ' ' HD2' ' A' ' 20' ' ' PRO . 20.8 t -93.47 108.74 35.95 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.637 0.732 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 19' ' ' CYS . 53.9 Cg_endo -69.72 -12.16 32.39 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.707 2.272 . . . . 0.0 112.348 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -76.88 149.6 36.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -84.43 155.19 22.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.491 ' HE3' HG12 ' A' ' 12' ' ' VAL . 0.9 OUTLIER -92.93 126.3 37.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.436 ' HB3' HG23 ' A' ' 27' ' ' THR . 32.8 t -72.45 178.6 3.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 84.4 t -78.38 -21.86 13.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.099 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -108.84 -4.57 16.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.436 HG23 ' HB3' ' A' ' 24' ' ' SER . 43.6 p -107.48 -20.87 13.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.551 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 4.1 pt20 -54.27 151.35 13.64 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.628 0.728 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.7 Cg_endo -69.78 -15.08 12.55 Favored 'Cis proline' 0 C--N 1.342 0.211 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.345 0.025 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 27' ' ' THR . 79.5 mt -81.07 173.89 12.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 10.5 p -104.6 175.43 5.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -49.27 -56.96 7.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -53.63 -68.0 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 37' ' ' ARG . 72.3 m -49.32 -64.16 0.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.6 t -39.48 -37.09 0.43 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -78.81 -40.8 31.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 34' ' ' CYS . 2.3 mmp_? . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.667 ' O ' HG23 ' A' ' 25' ' ' VAL . 32.0 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.877 0.37 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.2 mt -53.48 121.94 8.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.937 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 32.8 mmm -90.27 177.56 6.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -81.74 13.5 3.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.525 HG13 ' HG3' ' A' ' 23' ' ' MET . 8.2 p -109.3 128.22 65.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -62.71 153.36 32.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 15' ' ' GLU . 24.7 t -52.97 143.45 17.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.523 ' HB3' HD23 ' A' ' 30' ' ' LEU . 26.1 tt0 -35.79 -59.98 0.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.863 HG22 ' H ' ' A' ' 18' ' ' ASN . 98.6 m -56.69 123.75 59.44 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.534 0.683 . . . . 0.0 111.164 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 1.35 4.53 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.627 2.218 . . . . 0.0 112.315 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.863 ' H ' HG22 ' A' ' 16' ' ' THR . 39.3 t30 -108.04 -24.88 11.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.857 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.418 ' HA ' ' HD2' ' A' ' 20' ' ' PRO . 16.8 t -72.76 112.31 14.71 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.63 0.728 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 19' ' ' CYS . 54.0 Cg_endo -69.66 0.85 4.98 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.686 2.257 . . . . 0.0 112.371 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.401 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 80.9 m-85 -101.68 153.31 19.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -89.42 160.92 16.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.525 ' HG3' HG13 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -93.97 128.75 40.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.893 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.95 176.16 5.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 8' ' ' SER . 70.0 t -76.07 -23.94 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 -106.73 -1.23 22.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 31.5 p -112.12 -20.63 11.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.549 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 7.6 pt20 -52.11 151.41 6.87 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.603 0.716 . . . . 0.0 110.887 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.7 Cg_endo -69.81 -20.62 10.72 Favored 'Cis proline' 0 C--O 1.232 0.215 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.36 0.035 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.523 HD23 ' HB3' ' A' ' 15' ' ' GLU . 86.8 mt -77.57 173.52 11.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.8 p -105.12 177.67 4.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -51.54 -53.4 38.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -53.99 -68.0 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 37' ' ' ARG . 47.8 m -54.2 -63.23 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.3 t -40.65 -40.46 1.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -78.65 -32.48 47.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 34' ' ' CYS . 20.0 ttm180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.9 t . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.934 0.397 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 71.7 mt -72.23 113.26 9.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 24.3 mtp -71.82 172.7 9.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -90.94 16.39 9.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.834 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.504 HG13 ' CG ' ' A' ' 23' ' ' MET . 9.2 p -116.55 135.18 57.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.075 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -62.01 151.32 35.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 15' ' ' GLU . 41.4 t -54.65 136.34 45.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.871 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 14' ' ' CYS . 3.9 tp10 -34.03 -56.54 0.48 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.848 HG22 ' H ' ' A' ' 18' ' ' ASN . 69.2 m -52.01 124.19 28.39 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.559 0.695 . . . . 0.0 111.158 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -7.0 19.94 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.657 2.238 . . . . 0.0 112.348 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.848 ' H ' HG22 ' A' ' 16' ' ' THR . 8.8 m120 -106.63 -5.06 18.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 20' ' ' PRO . 10.2 t -99.72 105.82 36.55 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.607 0.718 . . . . 0.0 110.907 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 19' ' ' CYS . 54.4 Cg_endo -69.69 -10.55 28.9 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.703 2.268 . . . . 0.0 112.389 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.4 ' O ' ' HB2' ' A' ' 14' ' ' CYS . 87.7 m-85 -79.11 146.89 32.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -81.09 153.46 27.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.504 ' CG ' HG13 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -94.12 121.64 35.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.448 ' N ' ' OG1' ' A' ' 27' ' ' THR . 2.7 m -70.86 178.05 3.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 84.2 t -76.0 -25.86 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.108 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -101.59 1.86 38.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' A' ' 24' ' ' SER . 70.9 p -116.47 -25.43 7.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.537 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 20.1 pt20 -52.09 151.53 6.7 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.621 0.724 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.3 Cg_endo -69.85 -6.06 9.35 Favored 'Cis proline' 0 C--O 1.232 0.219 0 C-N-CA 122.741 -1.775 . . . . 0.0 112.262 0.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' A' ' 27' ' ' THR . 83.3 mt -91.75 178.05 6.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.2 p -107.71 178.1 4.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -54.47 -43.68 71.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -61.29 -67.97 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 48.5 m -53.96 -55.68 24.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.6 t -51.21 -31.39 20.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -78.14 -56.59 4.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.85 -179.869 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 72.4 m . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.874 0.368 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 75.6 mt -58.24 109.78 0.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 19.7 mmm -64.68 174.21 1.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -83.19 6.21 20.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.464 HG13 ' CG ' ' A' ' 23' ' ' MET . 14.5 p -105.94 136.34 40.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -64.97 152.42 43.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.438 ' O ' ' C ' ' A' ' 15' ' ' GLU . 31.7 t -52.38 140.59 21.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.891 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 14' ' ' CYS . 27.7 tp10 -34.0 -63.93 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.874 HG22 ' H ' ' A' ' 18' ' ' ASN . 82.2 m -52.93 123.52 33.01 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.579 0.704 . . . . 0.0 111.104 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -0.49 6.99 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.63 2.22 . . . . 0.0 112.363 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.874 ' H ' HG22 ' A' ' 16' ' ' THR . 19.2 t-20 -105.02 -22.7 13.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.423 ' HA ' ' HD2' ' A' ' 20' ' ' PRO . 11.0 t -76.64 111.78 18.01 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.661 0.743 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 19' ' ' CYS . 53.7 Cg_endo -69.78 2.96 3.07 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.713 2.275 . . . . 0.0 112.304 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.424 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 81.6 m-85 -103.8 156.33 17.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.925 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -91.4 160.19 15.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.464 ' CG ' HG13 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -91.83 126.88 37.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.6 t -73.34 178.41 4.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.879 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.7 t -77.99 -20.39 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -108.67 -6.04 16.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 30' ' ' LEU . 55.8 p -107.82 -19.19 13.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.547 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 8.2 pt20 -52.56 151.45 7.77 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.593 0.711 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.4 Cg_endo -69.71 -15.01 12.45 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.658 -1.809 . . . . 0.0 112.349 -0.036 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 27' ' ' THR . 75.3 mt -84.59 177.33 8.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 10.2 p -106.0 177.49 4.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -54.72 -50.73 67.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -52.99 -58.7 6.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 35' ' ' SER . 65.8 m -62.44 -64.67 0.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 34' ' ' CYS . 12.1 t -38.26 -42.72 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -77.68 -40.55 41.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.822 -179.914 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.0 t . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.913 0.387 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.3 mt -54.83 104.96 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.443 ' SD ' HG22 ' A' ' 25' ' ' VAL . 3.4 mtp -75.82 175.67 8.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -85.58 12.71 8.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.3 t -96.62 122.16 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -56.4 144.87 29.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.438 ' O ' ' C ' ' A' ' 15' ' ' GLU . 15.9 t -52.26 141.0 20.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.511 ' HB3' HD23 ' A' ' 30' ' ' LEU . 33.6 tt0 -34.41 -60.93 0.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.903 HG22 ' H ' ' A' ' 18' ' ' ASN . 83.0 m -54.32 123.82 44.35 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.633 0.73 . . . . 0.0 111.151 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 0.19 6.02 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.706 2.271 . . . . 0.0 112.342 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.903 ' H ' HG22 ' A' ' 16' ' ' THR . 2.5 m120 -110.72 -9.37 14.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.1 t -93.03 109.05 37.02 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.638 0.733 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -2.1 9.56 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.726 2.284 . . . . 0.0 112.373 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -88.09 148.69 24.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -87.01 149.86 24.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -90.4 125.94 35.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.1 t -73.3 178.83 4.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.443 HG22 ' SD ' ' A' ' 10' ' ' MET . 61.7 t -77.97 -18.3 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.138 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -108.68 -7.47 15.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.563 HG21 ' CA ' ' A' ' 32' ' ' HIS . 59.6 p -106.9 -21.54 12.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.207 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.545 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 3.3 pt20 -52.52 151.49 7.64 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.63 0.728 . . . . 0.0 110.877 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.9 Cg_endo -69.73 -13.57 12.34 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.337 -0.04 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.511 HD23 ' HB3' ' A' ' 15' ' ' GLU . 72.2 mt -84.78 175.05 9.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.941 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 34' ' ' CYS . 15.2 p -108.59 149.95 28.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.563 ' CA ' HG21 ' A' ' 27' ' ' THR . 3.4 p80 -35.17 -48.64 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.493 ' H ' ' CD2' ' A' ' 32' ' ' HIS . 2.1 mm-40 -54.5 -42.88 71.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 37' ' ' ARG . 92.6 m -80.67 -57.74 3.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 34' ' ' CYS . 8.3 t -33.0 -52.92 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.476 ' HG3' ' N ' ' A' ' 37' ' ' ARG . 11.0 pt-20 -54.88 -45.43 74.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 34' ' ' CYS . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.819 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.901 0.381 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 99.5 mt -55.98 107.99 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.6 mmt -73.63 178.14 4.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -88.85 13.09 13.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.427 HG13 ' O ' ' A' ' 12' ' ' VAL . 15.0 p -108.36 127.0 65.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -58.3 152.62 17.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.418 ' O ' ' C ' ' A' ' 15' ' ' GLU . 41.4 t -54.71 144.43 22.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.847 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 14' ' ' CYS . 14.5 tm-20 -36.74 -60.57 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.902 HG22 ' H ' ' A' ' 18' ' ' ASN . 79.0 m -52.87 123.74 33.42 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.622 0.725 . . . . 0.0 111.148 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 -1.78 9.08 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.643 2.229 . . . . 0.0 112.317 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.902 ' H ' HG22 ' A' ' 16' ' ' THR . 73.9 m-80 -109.78 -6.11 15.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.4 t -94.3 110.91 51.32 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.643 0.735 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -15.7 37.2 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.656 2.238 . . . . 0.0 112.382 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -80.24 148.07 30.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -83.7 160.6 21.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -100.74 122.11 42.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.447 ' N ' ' OG1' ' A' ' 27' ' ' THR . 2.4 m -70.62 178.26 3.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 48.9 t -75.96 -21.53 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -104.12 -4.45 23.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.456 ' C ' ' O ' ' A' ' 30' ' ' LEU . 64.4 p -110.96 -24.91 10.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.182 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.539 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 3.5 pt20 -51.92 151.75 6.13 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.551 0.691 . . . . 0.0 110.949 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.9 Cg_endo -69.73 -12.45 12.13 Favored 'Cis proline' 0 C--O 1.232 0.202 0 C-N-CA 122.649 -1.813 . . . . 0.0 112.391 -0.051 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.456 ' O ' ' C ' ' A' ' 27' ' ' THR . 80.0 mt -86.56 175.66 8.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 35' ' ' SER . 10.6 p -104.47 178.71 4.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -54.83 -45.78 74.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -62.3 -69.3 0.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 35' ' ' SER . 60.7 m -52.39 -53.41 45.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 31' ' ' CYS . 28.2 t -35.61 -67.41 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.53 ' CD ' ' N ' ' A' ' 37' ' ' ARG . 1.9 pp20? -65.45 -41.69 93.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.858 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.53 ' N ' ' CD ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.818 ' O ' HG23 ' A' ' 25' ' ' VAL . 2.4 t . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.906 0.384 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.5 mt -83.49 144.41 29.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 12.6 mmt -100.54 160.09 14.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -82.22 17.91 1.54 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.3 t -108.72 130.14 62.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -59.23 152.76 19.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 15' ' ' GLU . 14.8 t -57.87 138.76 55.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.871 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 14' ' ' CYS . 34.5 tp10 -34.29 -51.28 0.44 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.894 HG22 ' H ' ' A' ' 18' ' ' ASN . 99.0 m -57.21 123.96 63.58 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.54 0.686 . . . . 0.0 111.158 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -0.92 7.56 Favored 'Trans proline' 0 C--N 1.34 0.116 0 C-N-CA 122.714 2.276 . . . . 0.0 112.338 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.894 ' H ' HG22 ' A' ' 16' ' ' THR . 15.7 m-20 -114.71 -13.34 12.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.3 t -89.21 110.54 39.21 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.62 0.724 . . . . 0.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -6.26 18.18 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.687 2.258 . . . . 0.0 112.341 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -70.54 172.58 8.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -113.06 153.04 28.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.403 ' HE2' ' O ' ' A' ' 29' ' ' PRO . 3.7 mtt -74.47 126.96 31.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 t -91.23 155.91 18.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.862 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.818 HG23 ' O ' ' A' ' 8' ' ' SER . 86.6 t -68.9 -11.82 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.161 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -118.04 -6.21 10.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.5 p -117.82 -13.89 10.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.538 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 21.8 pt20 -53.65 151.35 11.29 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.637 0.732 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.7 Cg_endo -69.76 -21.41 10.23 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.711 -1.787 . . . . 0.0 112.37 -0.008 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.6 mt -73.37 176.6 5.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 2.8 p -113.38 157.04 22.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.638 ' N ' ' CD2' ' A' ' 32' ' ' HIS . 0.0 OUTLIER -38.75 -66.4 0.28 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 179.93 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.479 ' H ' ' CD2' ' A' ' 32' ' ' HIS . 3.7 tp10 -39.12 -31.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.903 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 37' ' ' ARG . 68.2 m -89.13 -65.74 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 34' ' ' CYS . 2.5 t -35.1 -33.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.474 ' HG3' ' N ' ' A' ' 37' ' ' ARG . 20.5 pt-20 -72.44 -47.05 52.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 34' ' ' CYS . 17.9 ptt180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.499 ' O ' HG23 ' A' ' 25' ' ' VAL . 62.8 m . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.877 0.37 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.492 HD21 ' CE1' ' A' ' 32' ' ' HIS . 81.6 mt -82.98 113.56 20.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.932 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.4 mmt -69.54 163.74 24.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -84.94 17.99 2.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 25.0 t -110.73 140.6 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -68.26 157.56 35.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.0 t -61.12 144.98 52.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.426 ' N ' ' HE2' ' A' ' 23' ' ' MET . 38.7 tt0 -41.83 -54.0 3.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.592 HG22 ' H ' ' A' ' 18' ' ' ASN . 7.2 m -52.02 126.24 33.98 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.554 0.692 . . . . 0.0 111.174 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -1.63 8.78 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.692 2.261 . . . . 0.0 112.37 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.592 ' H ' HG22 ' A' ' 16' ' ' THR . 67.8 m-20 -118.0 6.89 12.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.9 t -113.38 106.99 53.99 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.653 0.74 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 -16.29 37.17 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.686 2.258 . . . . 0.0 112.348 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.602 ' CE2' ' OE1' ' A' ' 33' ' ' GLU . 40.2 m-85 -56.0 160.23 2.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -101.34 147.91 25.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.44 ' HB3' ' CG ' ' A' ' 28' ' ' GLN . 3.1 mtt -73.42 140.12 46.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.852 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.79 157.64 16.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 8' ' ' SER . 58.5 t -68.39 -10.86 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.401 ' O ' ' OD1' ' A' ' 26' ' ' ASN . 6.9 t-20 -117.29 -14.49 10.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.519 HG21 ' CA ' ' A' ' 32' ' ' HIS . 22.6 p -108.98 -13.92 14.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.537 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 11.5 mt-30 -55.54 152.38 17.94 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.623 0.725 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.8 Cg_endo -69.7 -22.68 9.44 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.367 -0.05 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 62.7 mt -73.05 175.5 6.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.462 ' O ' ' C ' ' A' ' 32' ' ' HIS . 8.4 p -106.92 148.9 28.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.673 ' N ' ' CD2' ' A' ' 32' ' ' HIS . 0.0 OUTLIER -31.99 -56.7 0.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.836 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.602 ' OE1' ' CE2' ' A' ' 21' ' ' PHE . 6.6 mt-10 -47.88 -51.01 24.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 36' ' ' GLU . 84.3 m -77.83 -63.35 1.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.48 ' C ' ' O ' ' A' ' 34' ' ' CYS . 84.0 p -32.05 -37.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.843 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 34' ' ' CYS . 20.0 pt-20 -90.04 -42.41 11.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 34' ' ' CYS . 29.2 ttt180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.618 ' O ' HG23 ' A' ' 25' ' ' VAL . 11.1 t . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.925 0.393 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 75.8 mt -52.73 116.75 2.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.1 mtp -79.78 175.46 10.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.0 p-10 -84.68 16.89 2.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.5 t -107.14 154.46 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.523 ' CE ' ' N ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -81.98 145.79 30.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 15' ' ' GLU . 35.4 t -52.87 142.41 19.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 14' ' ' CYS . 28.6 tp10 -35.08 -53.85 0.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.894 HG22 ' H ' ' A' ' 18' ' ' ASN . 88.6 m -60.71 122.68 70.15 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.602 0.715 . . . . 0.0 111.116 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 0.89 5.04 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.653 2.236 . . . . 0.0 112.317 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.894 ' H ' HG22 ' A' ' 16' ' ' THR . 33.0 m-80 -112.96 -9.17 13.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 33.8 t -90.39 109.9 37.02 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.658 0.742 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -1.08 7.84 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.737 2.291 . . . . 0.0 112.316 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -91.47 152.09 20.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -90.02 149.21 22.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -80.75 134.59 35.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.413 ' HB3' HG23 ' A' ' 27' ' ' THR . 1.1 t -82.33 175.09 10.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 8' ' ' SER . 60.1 t -77.73 -20.39 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.128 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -111.56 1.99 17.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.413 HG23 ' HB3' ' A' ' 24' ' ' SER . 24.9 p -117.99 -15.87 9.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.133 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.552 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 14.1 pt20 -54.71 151.12 15.83 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.604 0.716 . . . . 0.0 110.943 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.9 Cg_endo -69.78 -21.36 10.29 Favored 'Cis proline' 0 C--O 1.232 0.184 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.326 0.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.421 HD22 ' CB ' ' A' ' 34' ' ' CYS . 34.8 mt -74.05 172.95 10.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 6.3 p -105.27 178.08 4.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -54.98 -53.61 53.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -52.03 -65.03 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 35' ' ' SER . 80.9 m -53.23 -58.66 6.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 34' ' ' CYS . 8.6 t -35.58 -67.91 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -60.37 -40.94 92.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.4 ttt-85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.912 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.923 0.392 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 76.3 mt -57.13 104.31 0.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.463 ' SD ' HG22 ' A' ' 25' ' ' VAL . 16.4 mtm -75.04 174.56 9.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.5 p30 -83.97 10.74 9.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.9 t -94.42 132.6 38.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.124 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -64.97 149.32 49.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 15' ' ' GLU . 41.4 t -58.21 142.38 47.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 14' ' ' CYS . 4.9 tm-20 -35.0 -62.32 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.857 HG22 ' H ' ' A' ' 18' ' ' ASN . 90.6 m -52.01 124.3 28.66 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.584 0.706 . . . . 0.0 111.177 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 1.32 4.53 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.719 2.279 . . . . 0.0 112.331 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.857 ' H ' HG22 ' A' ' 16' ' ' THR . 47.1 t30 -111.52 -13.85 13.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.6 t -89.82 109.9 35.82 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.639 0.733 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -17.58 37.52 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.644 2.23 . . . . 0.0 112.37 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -71.1 147.63 48.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.402 ' O ' ' HB2' ' A' ' 31' ' ' CYS . 62.8 m-85 -84.83 153.17 23.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.6 ptp -94.25 128.96 41.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.429 ' HB3' HG23 ' A' ' 27' ' ' THR . 0.9 OUTLIER -74.61 177.85 5.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.803 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.463 HG22 ' SD ' ' A' ' 10' ' ' MET . 57.3 t -77.25 -24.0 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.184 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -106.54 0.35 24.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.462 ' C ' ' O ' ' A' ' 30' ' ' LEU . 28.8 p -113.29 -25.84 8.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.535 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 11.9 pt20 -52.18 153.91 4.52 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.623 0.725 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.5 Cg_endo -69.78 -10.9 11.76 Favored 'Cis proline' 0 C--O 1.231 0.147 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.358 0.037 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.462 ' O ' ' C ' ' A' ' 27' ' ' THR . 93.7 mt -86.76 165.84 15.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.461 ' O ' ' C ' ' A' ' 32' ' ' HIS . 10.1 p -100.58 152.95 19.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.461 ' C ' ' O ' ' A' ' 31' ' ' CYS . 2.0 t-160 -32.0 -44.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -62.19 -58.87 6.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.47 ' HA ' ' CD ' ' A' ' 37' ' ' ARG . 81.3 m -66.58 -15.37 63.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.9 t -84.13 -46.52 11.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -66.89 -30.39 70.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.47 ' CD ' ' HA ' ' A' ' 34' ' ' CYS . 48.1 ptt85 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.891 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.443 ' O ' HG23 ' A' ' 25' ' ' VAL . 25.9 t . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.895 0.378 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.2 mt -58.36 136.5 57.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.6 mmt -88.98 165.55 14.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -82.79 16.68 2.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.813 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.528 HG13 ' SD ' ' A' ' 23' ' ' MET . 12.4 p -115.34 136.0 53.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.105 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -65.76 158.89 26.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.8 t -62.1 144.29 55.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -45.26 -47.81 12.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.916 HG22 ' H ' ' A' ' 18' ' ' ASN . 46.0 m -54.61 126.78 57.73 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.526 0.679 . . . . 0.0 111.168 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -4.82 14.79 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.663 2.242 . . . . 0.0 112.372 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.916 ' H ' HG22 ' A' ' 16' ' ' THR . 8.2 m-20 -118.01 13.52 13.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.432 ' HA ' ' HD2' ' A' ' 20' ' ' PRO . 12.0 t -120.0 106.72 40.83 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.657 0.741 . . . . 0.0 110.914 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 19' ' ' CYS . 53.1 Cg_endo -69.79 -18.09 37.08 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.632 2.221 . . . . 0.0 112.316 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.43 ' CE2' ' HG3' ' A' ' 33' ' ' GLU . 45.8 m-85 -55.64 165.48 0.84 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -104.9 152.94 22.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.528 ' SD ' HG13 ' A' ' 12' ' ' VAL . 2.4 mtt -77.65 118.68 20.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.472 ' HB2' HG23 ' A' ' 27' ' ' THR . 11.9 m -80.49 175.06 11.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.863 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 8' ' ' SER . 96.8 t -77.24 -24.29 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.13 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -108.65 1.79 21.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.722 HG21 ' HA ' ' A' ' 32' ' ' HIS . 24.7 p -117.57 -15.74 10.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.113 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.555 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 17.2 pt20 -55.3 146.08 43.59 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.589 0.709 . . . . 0.0 110.921 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.5 Cg_endo -69.77 -25.08 8.24 Favored 'Cis proline' 0 C--O 1.232 0.2 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.339 -0.032 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 75.5 mt -68.28 178.34 1.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.4 p -105.17 179.15 4.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.722 ' HA ' HG21 ' A' ' 27' ' ' THR . 2.7 t-160 -55.92 -54.76 40.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.463 ' O ' ' CG ' ' A' ' 36' ' ' GLU . 6.2 mm-40 -51.76 -66.42 0.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 74.3 m -52.29 -55.29 22.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.2 t -38.79 -58.3 1.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.472 ' HG3' ' N ' ' A' ' 37' ' ' ARG . 5.2 pt-20 -63.96 -36.11 82.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.852 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.472 ' N ' ' HG3' ' A' ' 36' ' ' GLU . 54.3 mtt-85 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.838 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.728 ' O ' HG23 ' A' ' 25' ' ' VAL . 60.7 m . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.848 0.356 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.452 HD22 ' HB2' ' A' ' 22' ' ' PHE . 19.8 mt -63.3 121.11 12.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.967 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.5 mmt -75.91 167.85 21.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -81.38 15.31 2.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.491 HG13 ' SD ' ' A' ' 23' ' ' MET . 11.8 p -111.18 139.41 35.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -68.28 153.85 42.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 15' ' ' GLU . 13.1 t -56.07 138.06 50.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.871 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.48 ' N ' ' HE2' ' A' ' 23' ' ' MET . 13.1 tp10 -34.57 -46.77 0.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.853 HG22 ' H ' ' A' ' 18' ' ' ASN . 45.5 m -62.12 125.45 85.42 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.568 0.699 . . . . 0.0 111.116 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -6.57 18.91 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.662 2.242 . . . . 0.0 112.354 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.853 ' H ' HG22 ' A' ' 16' ' ' THR . 47.1 m-20 -114.11 14.23 18.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.852 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 12.5 t -119.24 114.66 34.76 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.634 0.73 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -22.74 31.86 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.712 2.275 . . . . 0.0 112.362 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -54.11 159.66 1.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.452 ' HB2' HD22 ' A' ' 9' ' ' LEU . 76.2 m-85 -105.26 146.67 28.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.491 ' SD ' HG13 ' A' ' 12' ' ' VAL . 4.6 mtt -68.18 125.92 27.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.405 ' HB3' HG23 ' A' ' 27' ' ' THR . 1.0 OUTLIER -88.56 155.18 19.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.859 -179.82 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 8' ' ' SER . 6.7 t -67.95 -12.84 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.127 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -118.03 -5.48 10.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.405 HG23 ' HB3' ' A' ' 24' ' ' SER . 27.8 p -116.24 -15.89 11.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.182 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.541 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 19.7 pt20 -52.43 152.26 6.54 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.565 0.698 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.6 Cg_endo -69.78 -24.81 8.38 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.719 -1.784 . . . . 0.0 112.314 0.033 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 52.9 mt -72.81 172.07 11.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.461 ' O ' ' C ' ' A' ' 32' ' ' HIS . 13.6 p -104.41 153.64 20.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.461 ' C ' ' O ' ' A' ' 31' ' ' CYS . 1.7 t-80 -32.83 -54.94 0.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 3.8 tp10 -51.37 -68.3 0.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 37' ' ' ARG . 79.8 m -58.97 -63.18 1.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 34' ' ' CYS . 19.1 m -34.94 -55.63 0.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 33' ' ' GLU . 4.8 pt-20 -69.34 -34.87 75.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 34' ' ' CYS . 19.5 tpt180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.2 t . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.892 0.377 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.0 mt -61.88 107.88 0.92 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.9 mmt -74.53 175.58 7.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -83.44 16.18 2.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.553 HG13 ' HG3' ' A' ' 23' ' ' MET . 6.3 p -110.96 137.97 41.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.139 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.478 ' O ' ' HE2' ' A' ' 23' ' ' MET . 4.0 mppt? -71.85 152.09 42.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 21' ' ' PHE . 23.6 t -52.55 138.72 27.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 14' ' ' CYS . 14.9 tp10 -35.61 -56.43 0.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.772 HG22 ' H ' ' A' ' 18' ' ' ASN . 32.1 m -52.12 122.72 24.67 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.564 0.697 . . . . 0.0 111.153 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -4.58 14.34 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.651 2.234 . . . . 0.0 112.314 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.772 ' H ' HG22 ' A' ' 16' ' ' THR . 12.1 m-80 -109.85 -6.72 15.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 11.7 t -95.14 109.57 45.41 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.677 0.751 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -5.68 16.78 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.677 2.252 . . . . 0.0 112.372 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.538 ' CD1' ' OE2' ' A' ' 33' ' ' GLU . 87.8 m-85 -85.47 148.15 26.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -85.71 160.02 19.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.553 ' HG3' HG13 ' A' ' 12' ' ' VAL . 0.4 OUTLIER -102.72 119.88 39.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.43 ' N ' ' OG1' ' A' ' 27' ' ' THR . 51.4 m -73.39 174.52 8.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.6 t -72.77 -21.72 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.166 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -104.29 -0.17 28.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 30' ' ' LEU . 69.7 p -117.48 -23.86 7.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.543 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 8.5 pt20 -51.98 151.25 6.78 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.552 0.692 . . . . 0.0 110.919 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.4 Cg_endo -69.7 -15.6 12.3 Favored 'Cis proline' 0 C--O 1.231 0.172 0 C-N-CA 122.74 -1.775 . . . . 0.0 112.349 -0.062 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.479 HD22 ' CB ' ' A' ' 34' ' ' CYS . 43.0 mt -82.94 174.46 10.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.402 ' O ' ' HB3' ' A' ' 35' ' ' SER . 29.7 p -106.07 178.17 4.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.939 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -59.27 -36.09 74.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.538 ' OE2' ' CD1' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -66.85 -50.27 63.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.479 ' CB ' HD22 ' A' ' 30' ' ' LEU . 85.5 m -75.03 -24.12 58.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.402 ' HB3' ' O ' ' A' ' 31' ' ' CYS . 6.7 t -82.84 -33.81 27.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.61 -35.24 39.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.846 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.893 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.855 ' O ' HG23 ' A' ' 25' ' ' VAL . 4.7 p . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.914 0.388 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.469 HD22 ' HB2' ' A' ' 22' ' ' PHE . 20.6 mt -62.33 166.65 4.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.933 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 9.5 mmt -119.7 172.2 7.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.26 14.35 8.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.44 HG22 ' N ' ' A' ' 13' ' ' LYS . 13.1 p -113.04 155.51 14.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.511 ' CE ' ' N ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -85.03 157.26 20.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 179.876 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.2 t -56.61 144.36 32.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.504 ' N ' ' HE2' ' A' ' 23' ' ' MET . 7.7 tt0 -40.52 -55.51 2.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.939 HG22 ' H ' ' A' ' 18' ' ' ASN . 53.0 m -53.48 124.6 41.45 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.654 0.74 . . . . 0.0 111.154 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 1.24 4.61 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.719 2.279 . . . . 0.0 112.292 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.939 ' H ' HG22 ' A' ' 16' ' ' THR . 18.0 m120 -117.52 -7.38 11.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.0 t -95.69 115.38 65.46 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.652 0.739 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -28.12 25.93 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.668 2.245 . . . . 0.0 112.37 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -52.56 161.98 0.62 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.469 ' HB2' HD22 ' A' ' 9' ' ' LEU . 24.6 m-85 -106.73 157.98 17.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.877 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.504 ' HE2' ' N ' ' A' ' 15' ' ' GLU . 6.5 mtt -75.06 140.84 43.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.423 ' HB3' HG23 ' A' ' 27' ' ' THR . 1.1 t -107.34 164.43 12.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.855 HG23 ' O ' ' A' ' 8' ' ' SER . 62.1 t -71.68 -17.06 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.138 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.84 -2.96 11.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.532 HG21 ' HA ' ' A' ' 32' ' ' HIS . 21.7 p -116.55 -20.79 9.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.536 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 5.4 pt20 -51.95 153.02 4.86 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.613 0.72 . . . . 0.0 110.935 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.8 Cg_endo -69.74 -18.45 11.61 Favored 'Cis proline' 0 C--N 1.342 0.209 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.353 -0.024 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.2 mt -76.38 178.24 6.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.9 p -103.05 169.47 8.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.846 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.532 ' HA ' HG21 ' A' ' 27' ' ' THR . 0.6 OUTLIER -47.29 -49.1 24.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.843 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.507 ' H ' ' CD2' ' A' ' 32' ' ' HIS . 27.5 tt0 -56.13 -68.56 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 35' ' ' SER . 78.8 m -49.33 -58.47 5.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 34' ' ' CYS . 6.7 t -34.48 -53.9 0.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -73.0 -39.17 66.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.881 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 t 64.92 42.73 4.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.879 0.371 . . . . 0.0 110.906 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -131.71 149.25 52.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.865 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.59 137.04 6.34 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 6' ' ' SER . 39.0 p -137.72 167.04 22.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.927 0.394 . . . . 0.0 110.86 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 5' ' ' SER . 82.5 p -35.64 -49.28 0.56 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.834 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.62 151.49 20.6 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.465 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.1 p -127.55 120.11 27.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.932 0.396 . . . . 0.0 110.864 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 71.1 mt -52.85 111.93 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.4 mmt -87.49 178.29 6.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -79.15 11.2 2.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 81.1 t -99.16 132.2 44.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -72.19 150.13 44.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.1 t -52.23 142.03 17.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -38.59 -61.27 0.72 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.891 HG22 ' H ' ' A' ' 18' ' ' ASN . 90.8 m -51.98 124.05 27.71 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.525 0.679 . . . . 0.0 111.125 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -1.19 8.06 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.704 2.269 . . . . 0.0 112.37 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.891 ' H ' HG22 ' A' ' 16' ' ' THR . 25.3 m120 -107.09 -17.89 14.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 9.1 t -84.79 110.31 26.88 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.629 0.728 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -8.99 25.01 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.665 2.243 . . . . 0.0 112.362 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -84.0 154.38 23.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -89.82 159.01 17.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.5 ptp -94.6 127.45 40.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.71 176.26 7.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.6 t -77.01 -19.89 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.118 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -109.73 -2.88 17.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 30' ' ' LEU . 34.4 p -111.54 -21.68 11.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.141 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.55 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 10.1 pt20 -51.96 151.52 6.45 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.628 0.728 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.55 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.5 Cg_endo -69.78 -17.29 12.04 Favored 'Cis proline' 0 C--O 1.232 0.193 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.382 -0.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 27' ' ' THR . 89.0 mt -81.05 170.72 15.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.6 p -101.92 178.55 4.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.826 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -56.31 -39.84 73.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.818 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -64.08 -65.92 0.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 35' ' ' SER . 56.7 m -56.91 -53.67 55.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 34' ' ' CYS . 28.1 t -35.81 -68.15 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 37' ' ' ARG . 12.1 pt-20 -57.53 -43.13 84.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.442 ' N ' ' HG3' ' A' ' 36' ' ' GLU . 34.6 mtp85 -52.26 -39.43 60.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -71.64 -43.6 65.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.7 tm0? -41.06 -47.55 3.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -43.36 -45.14 5.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -40.45 -53.36 2.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -99.93 126.4 46.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.935 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -137.92 142.63 40.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 53.1 p -101.77 15.13 29.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.34 -160.32 53.07 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.442 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 134.33 27.77 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.651 2.234 . . . . 0.0 112.376 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.3 p -46.46 -47.86 19.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.2 t -52.25 -52.81 50.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.89 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.523 179.959 . . . . . . . . 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 1.452 -0.271 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.0 m -65.1 116.78 6.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.909 0.385 . . . . 0.0 110.811 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.8 m -80.88 121.33 25.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.832 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.14 104.29 0.94 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.461 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 p -52.81 -21.19 3.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.939 0.399 . . . . 0.0 110.9 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 p -97.34 -55.76 2.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.839 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.05 -178.32 38.78 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.513 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.9 m -135.17 119.78 18.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.887 0.375 . . . . 0.0 110.857 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 31.1 mt -54.78 107.24 0.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 25.4 mtp -68.97 172.73 6.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -89.04 12.6 15.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.581 HG13 ' CG ' ' A' ' 23' ' ' MET . 7.7 p -112.39 139.61 36.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.407 ' O ' ' HE3' ' A' ' 23' ' ' MET . 3.6 mppt? -65.98 151.71 46.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.5 t -52.7 142.01 19.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -38.57 -55.34 1.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.92 HG22 ' H ' ' A' ' 18' ' ' ASN . 87.6 m -52.18 124.33 30.11 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.538 0.685 . . . . 0.0 111.116 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 0.21 5.97 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.662 2.241 . . . . 0.0 112.33 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.92 ' H ' HG22 ' A' ' 16' ' ' THR . 34.4 m-80 -115.17 -9.17 12.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 20' ' ' PRO . 10.2 t -95.51 108.94 42.84 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.592 0.711 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 19' ' ' CYS . 53.8 Cg_endo -69.74 -16.36 37.61 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.686 2.257 . . . . 0.0 112.326 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -70.36 146.35 50.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -82.08 155.25 25.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.581 ' CG ' HG13 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -96.22 119.28 34.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.5 m -70.47 177.36 3.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 62.8 t -75.65 -24.82 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.115 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -102.94 -1.33 29.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.599 HG21 ' CA ' ' A' ' 32' ' ' HIS . 38.5 p -114.68 -23.81 9.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.536 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 24.5 pt20 -52.41 152.04 6.75 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.602 0.715 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.7 Cg_endo -69.74 -10.21 11.35 Favored 'Cis proline' 0 C--O 1.232 0.205 0 C-N-CA 122.751 -1.77 . . . . 0.0 112.323 0.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 27' ' ' THR . 77.0 mt -87.67 175.69 7.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.5 ' O ' ' N ' ' A' ' 34' ' ' CYS . 15.7 p -106.84 149.45 27.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.599 ' CA ' HG21 ' A' ' 27' ' ' THR . 2.5 t-160 -34.72 -50.35 0.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -54.02 -42.66 69.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.5 ' N ' ' O ' ' A' ' 31' ' ' CYS . 57.1 m -78.7 -58.11 3.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 34' ' ' CYS . 13.4 t -34.21 -56.71 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 37' ' ' ARG . 12.2 pt-20 -49.92 -41.69 46.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 34' ' ' CYS . 26.1 mmm180 -61.96 -46.35 89.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 39' ' ' GLN . 23.6 mmm-85 -61.22 -60.39 3.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 38' ' ' ARG . 9.8 mm-40 -37.17 -48.98 0.88 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.3 tttp -94.86 114.85 26.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -155.04 130.0 9.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.0 mp0 -70.86 -56.57 6.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -46.7 -54.13 10.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.8 m -63.2 159.04 18.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -159.38 83.58 0.13 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.449 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 160.53 49.34 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.669 2.246 . . . . 0.0 112.354 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 54.9 p -107.41 144.7 33.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.842 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.1 t -55.32 -56.0 25.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.174 -0.792 . . . . 0.0 112.479 -179.973 . . . . . . . . 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 -0.301 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.8 t -84.55 127.35 34.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.893 0.378 . . . . 0.0 110.852 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.9 m -117.84 175.87 5.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.841 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.63 59.85 3.14 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.464 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 6' ' ' SER . 42.9 m -67.23 -45.6 76.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.897 0.379 . . . . 0.0 110.88 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 5' ' ' SER . 1.5 t -38.02 -54.82 1.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -47.73 124.01 9.57 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.449 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.778 ' O ' HG23 ' A' ' 25' ' ' VAL . 8.7 t -133.78 145.86 50.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.885 0.374 . . . . 0.0 110.894 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 36.5 mt -74.71 138.79 43.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.0 mmt -96.87 167.58 11.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.8 p30 -83.23 15.38 2.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.7 p -111.79 134.97 52.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -64.03 156.56 27.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.6 t -61.06 145.67 50.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -40.23 -58.55 1.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.902 HG22 ' H ' ' A' ' 18' ' ' ASN . 58.8 m -51.96 124.97 30.22 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.543 0.687 . . . . 0.0 111.145 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 3.15 2.95 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.649 2.233 . . . . 0.0 112.332 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.902 ' H ' HG22 ' A' ' 16' ' ' THR . 5.3 m-80 -115.58 -14.29 11.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 11.4 t -90.74 111.76 49.62 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.646 0.736 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -16.8 37.62 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.697 2.265 . . . . 0.0 112.366 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -60.77 170.84 1.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -111.33 154.41 24.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.3 mtt -74.3 119.67 18.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.927 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.438 ' CB ' ' OG1' ' A' ' 27' ' ' THR . 1.0 OUTLIER -77.6 176.82 8.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.849 -179.791 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 8' ' ' SER . 88.2 t -82.79 -22.34 8.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.116 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -114.23 0.24 14.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.603 HG21 ' HA ' ' A' ' 32' ' ' HIS . 32.7 p -113.91 -14.9 12.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.548 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 13.8 pt20 -52.69 148.23 13.52 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.588 0.708 . . . . 0.0 110.953 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 54.1 Cg_endo -69.73 -25.08 8.22 Favored 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.383 -0.014 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 24.8 mt -68.18 176.88 2.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 12.9 p -106.23 178.22 4.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.856 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.603 ' HA ' HG21 ' A' ' 27' ' ' THR . 2.6 t-160 -55.83 -52.97 62.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.801 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -50.77 -58.95 4.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.462 ' O ' ' C ' ' A' ' 35' ' ' SER . 72.2 m -61.61 -63.27 1.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 34' ' ' CYS . 4.1 t -33.33 -64.01 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.485 ' OE1' ' CD2' ' A' ' 32' ' ' HIS . 9.1 pt-20 -64.17 -43.9 93.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 -47.03 -55.96 7.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.8 ttp85 -56.82 -61.69 2.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 22.7 mm100 -40.44 -61.43 0.92 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.2 tptm -41.79 -62.96 0.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -77.74 108.34 10.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.925 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -102.93 132.37 49.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -66.37 159.16 27.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.1 p -74.8 154.31 38.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.21 153.66 20.66 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.497 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 127.55 14.82 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.718 2.279 . . . . 0.0 112.342 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.2 m 61.02 42.16 13.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.84 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 49' ' ' GLY . 1.9 t -46.59 -52.91 12.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 48' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.267 0 CA-C-O 119.174 -0.792 . . . . 0.0 112.518 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.4 p -125.32 173.65 8.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.81 0.338 . . . . 0.0 110.893 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 t -86.46 -49.06 7.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.87 -118.45 4.46 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.445 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.2 p -116.84 120.97 40.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.895 0.379 . . . . 0.0 110.832 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.9 p -151.37 119.28 6.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.6 -159.97 35.89 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.508 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.3 t -157.86 123.19 4.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.945 0.402 . . . . 0.0 110.814 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.02 107.19 0.69 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.7 mmt -73.54 167.55 21.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -82.44 12.83 4.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.8 t -103.22 135.69 39.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.15 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -65.15 149.48 49.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 15' ' ' GLU . 13.2 t -53.59 140.68 27.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 14' ' ' CYS . 13.2 tp10 -36.58 -58.94 0.7 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.947 HG22 ' H ' ' A' ' 18' ' ' ASN . 54.4 m -52.04 124.9 30.63 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.564 0.697 . . . . 0.0 111.17 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 0.75 5.25 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.645 2.23 . . . . 0.0 112.306 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.947 ' H ' HG22 ' A' ' 16' ' ' THR . 27.5 m120 -115.09 -2.23 12.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.411 ' HA ' ' HD2' ' A' ' 20' ' ' PRO . 8.7 t -103.89 107.57 57.18 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.637 0.732 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 19' ' ' CYS . 53.1 Cg_endo -69.83 -14.0 35.26 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.719 2.279 . . . . 0.0 112.308 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -70.29 145.02 51.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -84.35 145.57 28.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -89.81 125.35 35.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.414 ' N ' ' OG1' ' A' ' 27' ' ' THR . 40.1 m -75.54 178.04 6.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.7 t -74.86 -27.71 20.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -99.17 -3.2 34.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 30' ' ' LEU . 36.2 p -113.38 -25.99 8.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.181 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.539 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 5.1 pt20 -51.98 151.97 6.02 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.66 0.743 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 54.1 Cg_endo -69.72 -13.54 12.32 Favored 'Cis proline' 0 C--O 1.232 0.212 0 C-N-CA 122.657 -1.81 . . . . 0.0 112.375 -0.078 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 27' ' ' THR . 72.3 mt -83.52 169.91 14.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.457 ' O ' ' C ' ' A' ' 32' ' ' HIS . 13.9 p -105.65 153.1 22.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.457 ' C ' ' O ' ' A' ' 31' ' ' CYS . 2.0 t-160 -33.45 -55.85 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -50.35 -51.29 46.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 35' ' ' SER . 99.6 m -68.33 -61.51 1.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 34' ' ' CYS . 46.6 t -34.4 -63.15 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.445 ' HG3' ' N ' ' A' ' 37' ' ' ARG . 17.5 pt-20 -55.52 -47.38 76.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.445 ' N ' ' HG3' ' A' ' 36' ' ' GLU . 48.7 mtt-85 -53.75 -39.7 65.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.9 ttp180 -68.61 -55.21 12.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -44.69 -58.52 3.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -59.94 -44.64 94.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.18 -43.99 61.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.9 mm-40 -71.38 140.72 50.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.946 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -81.4 3.8 23.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.8 t -77.21 131.44 38.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.41 95.29 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -35.94 11.68 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.661 2.24 . . . . 0.0 112.344 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 75.7 m -45.67 -43.84 12.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.2 t -87.56 -46.05 9.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.495 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.7 p -104.69 142.29 34.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.872 0.367 . . . . 0.0 110.843 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 t -93.71 -59.54 1.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.822 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.85 -44.58 2.58 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.472 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 t -68.71 169.14 11.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.818 0.342 . . . . 0.0 110.872 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -75.79 -59.13 2.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.83 175.98 20.48 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.525 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.494 ' O ' HG23 ' A' ' 25' ' ' VAL . 4.1 m -150.31 144.73 25.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.897 0.38 . . . . 0.0 110.877 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 74.3 mt -66.45 122.23 17.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.966 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 23.1 mtp -80.4 172.57 13.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -86.52 15.33 5.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.534 HG13 ' CG ' ' A' ' 23' ' ' MET . 5.7 p -115.11 139.75 39.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -68.43 157.14 36.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.948 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 15' ' ' GLU . 32.4 t -57.8 138.36 55.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.867 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 14' ' ' CYS . 15.4 tp10 -34.46 -60.91 0.41 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.923 HG22 ' H ' ' A' ' 18' ' ' ASN . 52.6 m -52.07 124.64 30.2 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.541 0.686 . . . . 0.0 111.14 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -2.57 10.41 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.638 2.226 . . . . 0.0 112.331 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.923 ' H ' HG22 ' A' ' 16' ' ' THR . 5.0 t-20 -106.15 -16.95 14.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.0 t -88.47 110.16 34.53 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.605 0.717 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -15.52 37.29 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.695 2.263 . . . . 0.0 112.368 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -75.05 150.41 38.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -86.44 155.98 20.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.534 ' CG ' HG13 ' A' ' 12' ' ' VAL . 2.1 ptp -91.23 124.21 35.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.46 ' N ' ' OG1' ' A' ' 27' ' ' THR . 1.2 t -70.17 178.42 2.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 8' ' ' SER . 99.5 t -76.98 -27.81 16.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -104.98 1.09 28.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.46 ' OG1' ' N ' ' A' ' 24' ' ' SER . 40.5 p -111.77 -24.85 9.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.159 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.535 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 11.6 pt20 -52.03 152.56 5.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.623 0.725 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.6 Cg_endo -69.81 -11.14 11.91 Favored 'Cis proline' 0 C--O 1.232 0.213 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.344 0.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.619 HD12 HH21 ' A' ' 38' ' ' ARG . 62.3 mt -86.4 170.73 11.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.915 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.4 ' O ' ' C ' ' A' ' 32' ' ' HIS . 11.6 p -103.77 159.11 15.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.5 ' CD2' ' C ' ' A' ' 32' ' ' HIS . 1.0 OUTLIER -38.52 -52.53 1.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.825 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.12 -59.92 3.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 75.0 m -62.04 -63.02 1.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.8 t -43.62 -26.74 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -86.05 -63.24 1.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -46.76 -36.3 7.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.619 HH21 HD12 ' A' ' 30' ' ' LEU . 11.9 mtm180 -66.46 -46.57 75.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -47.02 -59.09 3.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.952 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.6 tttp -50.8 -42.02 57.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -65.16 -43.33 92.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -47.42 -56.24 7.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -141.81 124.34 15.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 77.2 p -97.81 164.84 12.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.11 -76.57 0.51 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 86.7 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.702 2.268 . . . . 0.0 112.359 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 25.1 m -67.98 -61.31 1.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.8 p 53.95 39.6 30.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.808 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.459 -179.97 . . . . . . . . 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 -0.345 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.2 p -49.87 -43.56 49.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.913 0.387 . . . . 0.0 110.891 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t 53.18 41.82 32.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.01 62.43 4.19 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.509 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.4 m -151.69 164.59 36.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.88 0.371 . . . . 0.0 110.824 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.6 p -48.73 -45.11 39.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.857 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.42 138.39 5.35 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.497 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.0 t -120.38 125.87 49.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 110.868 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.4 mt -55.57 116.46 2.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.2 mmm -89.25 173.48 8.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -77.08 5.57 7.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.425 ' CG1' ' HE3' ' A' ' 23' ' ' MET . 99.0 t -88.02 128.54 40.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -65.32 145.0 56.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 15' ' ' GLU . 32.5 t -51.98 144.34 12.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.875 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 14' ' ' CYS . 4.9 tm-20 -35.05 -61.0 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.923 HG22 ' H ' ' A' ' 18' ' ' ASN . 52.3 m -57.88 124.66 70.31 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.627 0.727 . . . . 0.0 111.141 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 0.22 5.97 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.697 2.265 . . . . 0.0 112.351 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.923 ' H ' HG22 ' A' ' 16' ' ' THR . 13.7 m120 -107.26 -21.3 13.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.8 t -78.56 112.73 28.77 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.649 0.738 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -4.19 13.5 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.677 2.251 . . . . 0.0 112.358 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -89.42 155.32 19.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -92.7 153.47 18.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.86 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.425 ' HE3' ' CG1' ' A' ' 12' ' ' VAL . 0.7 OUTLIER -87.72 128.08 35.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.45 ' HB3' HG23 ' A' ' 27' ' ' THR . 1.1 t -74.61 177.73 5.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 86.3 t -77.71 -26.04 14.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.1 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -106.01 -0.33 25.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.45 HG23 ' HB3' ' A' ' 24' ' ' SER . 27.6 p -112.74 -19.03 12.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.156 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.555 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 3.4 pt20 -52.76 151.19 8.52 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.533 0.682 . . . . 0.0 110.959 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.7 Cg_endo -69.76 -22.76 9.44 Favored 'Cis proline' 0 C--O 1.232 0.213 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.317 0.031 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.416 HD23 ' HB3' ' A' ' 15' ' ' GLU . 85.5 mt -74.34 174.18 9.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 12.2 p -106.22 177.98 4.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -54.79 -52.51 62.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -52.31 -63.8 1.02 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.429 ' O ' ' N ' ' A' ' 37' ' ' ARG . 80.8 m -56.44 -61.01 2.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.5 t -42.53 -38.28 1.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -65.24 -37.74 88.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 34' ' ' CYS . 30.1 mmm180 -64.75 -41.31 96.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 39' ' ' GLN . 34.4 mtp180 -68.87 -45.62 70.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 38' ' ' ARG . 13.3 tm0? -37.2 -49.93 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.944 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.82 -59.18 2.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -43.23 -64.12 0.69 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -84.12 158.84 21.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -154.17 173.47 16.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.5 t -102.03 130.29 48.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.42 -157.94 8.75 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.458 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 140.29 42.39 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.72 2.28 . . . . 0.0 112.325 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.6 p -94.3 7.48 45.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 79.6 p -80.17 134.29 36.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.449 -179.982 . . . . . . . . 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 1.452 -0.278 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.7 m -109.19 157.67 18.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.912 0.387 . . . . 0.0 110.814 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 t -95.47 137.65 34.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.865 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.41 52.77 0.21 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -112.57 151.9 29.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.888 0.375 . . . . 0.0 110.871 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.4 t -85.49 -48.96 8.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.49 104.59 0.36 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.505 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.2 t -101.89 122.53 44.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.909 0.385 . . . . 0.0 110.902 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.4 mt -56.07 105.0 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.3 mtp -75.05 174.5 9.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -85.02 8.56 17.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.491 HG12 ' HE3' ' A' ' 23' ' ' MET . 36.2 t -90.97 126.39 43.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.464 ' O ' ' HE3' ' A' ' 23' ' ' MET . 3.4 mppt? -60.84 142.45 56.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 15' ' ' GLU . 40.1 t -52.19 137.99 26.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 14' ' ' CYS . 2.5 tm-20 -35.06 -56.15 0.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.897 HG22 ' H ' ' A' ' 18' ' ' ASN . 99.3 m -54.49 123.39 43.54 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.564 0.697 . . . . 0.0 111.163 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 0.41 5.66 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.693 2.262 . . . . 0.0 112.353 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.897 ' H ' HG22 ' A' ' 16' ' ' THR . 5.1 m-20 -113.54 -9.51 13.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.4 ' HA ' ' HD2' ' A' ' 20' ' ' PRO . 20.8 t -93.47 108.74 35.95 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.637 0.732 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 19' ' ' CYS . 53.9 Cg_endo -69.72 -12.16 32.39 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.707 2.272 . . . . 0.0 112.348 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -76.88 149.6 36.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -84.43 155.19 22.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.491 ' HE3' HG12 ' A' ' 12' ' ' VAL . 0.9 OUTLIER -92.93 126.3 37.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.436 ' HB3' HG23 ' A' ' 27' ' ' THR . 32.8 t -72.45 178.6 3.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 84.4 t -78.38 -21.86 13.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.099 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -108.84 -4.57 16.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.436 HG23 ' HB3' ' A' ' 24' ' ' SER . 43.6 p -107.48 -20.87 13.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.551 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 4.1 pt20 -54.27 151.35 13.64 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.628 0.728 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.7 Cg_endo -69.78 -15.08 12.55 Favored 'Cis proline' 0 C--N 1.342 0.211 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.345 0.025 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 27' ' ' THR . 79.5 mt -81.07 173.89 12.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 10.5 p -104.6 175.43 5.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -49.27 -56.96 7.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -53.63 -68.0 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 37' ' ' ARG . 72.3 m -49.32 -64.16 0.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.6 t -39.48 -37.09 0.43 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -78.81 -40.8 31.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 34' ' ' CYS . 2.3 mmp_? -50.66 -40.99 54.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -79.37 -46.17 18.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 40' ' ' LYS . 26.0 mt-30 -41.27 -60.66 1.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 39' ' ' GLN . 78.4 tttt -35.63 -51.35 0.65 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 32.7 t-20 -80.21 124.53 28.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -77.56 130.37 36.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -108.21 6.67 26.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.9 p -49.93 -52.24 34.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.87 -94.98 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 99.52 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.644 2.229 . . . . 0.0 112.347 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 55.9 p -80.92 131.81 35.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 98.3 p -82.37 -45.71 14.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.835 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 CA-C-O 119.076 -0.847 . . . . 0.0 112.555 -179.956 . . . . . . . . 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 -0.302 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.2 p -136.12 150.58 49.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.903 0.382 . . . . 0.0 110.887 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -95.15 135.45 36.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.847 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.41 -177.7 18.1 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.529 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.6 t -79.8 134.48 36.35 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.85 0.357 . . . . 0.0 110.898 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.8 p -97.74 173.96 6.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.807 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.25 58.72 0.13 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.479 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.667 ' O ' HG23 ' A' ' 25' ' ' VAL . 32.0 t -123.17 135.6 54.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.877 0.37 . . . . 0.0 110.901 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.2 mt -53.48 121.94 8.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.937 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 32.8 mmm -90.27 177.56 6.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -81.74 13.5 3.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.525 HG13 ' HG3' ' A' ' 23' ' ' MET . 8.2 p -109.3 128.22 65.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -62.71 153.36 32.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 15' ' ' GLU . 24.7 t -52.97 143.45 17.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.523 ' HB3' HD23 ' A' ' 30' ' ' LEU . 26.1 tt0 -35.79 -59.98 0.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.863 HG22 ' H ' ' A' ' 18' ' ' ASN . 98.6 m -56.69 123.75 59.44 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.534 0.683 . . . . 0.0 111.164 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 1.35 4.53 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.627 2.218 . . . . 0.0 112.315 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.863 ' H ' HG22 ' A' ' 16' ' ' THR . 39.3 t30 -108.04 -24.88 11.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.857 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.418 ' HA ' ' HD2' ' A' ' 20' ' ' PRO . 16.8 t -72.76 112.31 14.71 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.63 0.728 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 19' ' ' CYS . 54.0 Cg_endo -69.66 0.85 4.98 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.686 2.257 . . . . 0.0 112.371 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.401 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 80.9 m-85 -101.68 153.31 19.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -89.42 160.92 16.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.525 ' HG3' HG13 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -93.97 128.75 40.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.893 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.95 176.16 5.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 8' ' ' SER . 70.0 t -76.07 -23.94 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 -106.73 -1.23 22.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 31.5 p -112.12 -20.63 11.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.549 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 7.6 pt20 -52.11 151.41 6.87 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.603 0.716 . . . . 0.0 110.887 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.7 Cg_endo -69.81 -20.62 10.72 Favored 'Cis proline' 0 C--O 1.232 0.215 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.36 0.035 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.523 HD23 ' HB3' ' A' ' 15' ' ' GLU . 86.8 mt -77.57 173.52 11.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.8 p -105.12 177.67 4.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -51.54 -53.4 38.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -53.99 -68.0 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 37' ' ' ARG . 47.8 m -54.2 -63.23 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.3 t -40.65 -40.46 1.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -78.65 -32.48 47.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 34' ' ' CYS . 20.0 ttm180 -67.33 -40.48 85.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.5 ttm180 -59.21 -40.82 87.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -78.44 -42.41 30.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -53.5 -43.48 68.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -95.95 175.51 6.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.34 130.53 39.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -83.35 -62.76 1.5 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.7 m -73.05 -56.05 5.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 129.67 149.96 6.89 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.47 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 113.17 3.29 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.663 2.242 . . . . 0.0 112.296 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.1 t -97.65 146.08 25.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.2 m -46.77 -46.5 20.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.451 -179.999 . . . . . . . . 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 1.452 -0.285 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 m -135.49 161.27 35.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.914 0.387 . . . . 0.0 110.817 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.6 p -58.26 175.46 0.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.84 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.46 58.84 0.56 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.542 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.5 t -129.25 164.39 23.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.932 0.396 . . . . 0.0 110.864 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.9 p -121.02 176.25 5.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.91 164.25 13.27 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.473 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.9 t -133.67 143.09 48.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.934 0.397 . . . . 0.0 110.859 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 71.7 mt -72.23 113.26 9.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 24.3 mtp -71.82 172.7 9.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -90.94 16.39 9.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.834 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.504 HG13 ' CG ' ' A' ' 23' ' ' MET . 9.2 p -116.55 135.18 57.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.075 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -62.01 151.32 35.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 15' ' ' GLU . 41.4 t -54.65 136.34 45.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.871 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 14' ' ' CYS . 3.9 tp10 -34.03 -56.54 0.48 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.848 HG22 ' H ' ' A' ' 18' ' ' ASN . 69.2 m -52.01 124.19 28.39 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.559 0.695 . . . . 0.0 111.158 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -7.0 19.94 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.657 2.238 . . . . 0.0 112.348 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.848 ' H ' HG22 ' A' ' 16' ' ' THR . 8.8 m120 -106.63 -5.06 18.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 20' ' ' PRO . 10.2 t -99.72 105.82 36.55 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.607 0.718 . . . . 0.0 110.907 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 19' ' ' CYS . 54.4 Cg_endo -69.69 -10.55 28.9 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.703 2.268 . . . . 0.0 112.389 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.4 ' O ' ' HB2' ' A' ' 14' ' ' CYS . 87.7 m-85 -79.11 146.89 32.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -81.09 153.46 27.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.504 ' CG ' HG13 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -94.12 121.64 35.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.448 ' N ' ' OG1' ' A' ' 27' ' ' THR . 2.7 m -70.86 178.05 3.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 84.2 t -76.0 -25.86 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.108 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -101.59 1.86 38.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' A' ' 24' ' ' SER . 70.9 p -116.47 -25.43 7.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.537 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 20.1 pt20 -52.09 151.53 6.7 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.621 0.724 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.3 Cg_endo -69.85 -6.06 9.35 Favored 'Cis proline' 0 C--O 1.232 0.219 0 C-N-CA 122.741 -1.775 . . . . 0.0 112.262 0.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' A' ' 27' ' ' THR . 83.3 mt -91.75 178.05 6.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.2 p -107.71 178.1 4.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -54.47 -43.68 71.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -61.29 -67.97 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 48.5 m -53.96 -55.68 24.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.6 t -51.21 -31.39 20.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -78.14 -56.59 4.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -55.86 -33.97 65.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.85 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -69.36 -51.35 37.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.452 ' NE2' ' HA ' ' A' ' 39' ' ' GLN . 7.5 mm-40 -40.64 -46.67 2.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -36.85 -45.8 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -42.04 -46.63 4.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.503 HE22 ' N ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER 62.51 44.4 7.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -54.39 -48.05 72.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.1 m -136.68 128.59 29.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.503 ' N ' HE22 ' A' ' 42' ' ' GLN . . . -64.14 -66.61 2.42 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.521 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 88.51 0.54 Allowed 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.694 2.263 . . . . 0.0 112.39 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 56.1 p -91.96 -53.77 4.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.1 t -130.55 126.64 37.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 CA-C-O 119.084 -0.842 . . . . 0.0 112.52 -179.954 . . . . . . . . 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 1.452 -0.261 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.2 p -156.71 146.74 21.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.879 0.371 . . . . 0.0 110.864 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.4 p -116.44 127.34 54.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.792 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.51 -90.26 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.526 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m 54.36 41.62 31.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.901 0.382 . . . . 0.0 110.866 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -88.27 -58.66 2.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.53 160.6 31.53 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.503 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 72.4 m -110.8 122.1 46.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.874 0.368 . . . . 0.0 110.861 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 75.6 mt -58.24 109.78 0.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 19.7 mmm -64.68 174.21 1.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -83.19 6.21 20.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.464 HG13 ' CG ' ' A' ' 23' ' ' MET . 14.5 p -105.94 136.34 40.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -64.97 152.42 43.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.438 ' O ' ' C ' ' A' ' 15' ' ' GLU . 31.7 t -52.38 140.59 21.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.891 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 14' ' ' CYS . 27.7 tp10 -34.0 -63.93 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.874 HG22 ' H ' ' A' ' 18' ' ' ASN . 82.2 m -52.93 123.52 33.01 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.579 0.704 . . . . 0.0 111.104 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -0.49 6.99 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.63 2.22 . . . . 0.0 112.363 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.874 ' H ' HG22 ' A' ' 16' ' ' THR . 19.2 t-20 -105.02 -22.7 13.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.423 ' HA ' ' HD2' ' A' ' 20' ' ' PRO . 11.0 t -76.64 111.78 18.01 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.661 0.743 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 19' ' ' CYS . 53.7 Cg_endo -69.78 2.96 3.07 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.713 2.275 . . . . 0.0 112.304 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.424 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 81.6 m-85 -103.8 156.33 17.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.925 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -91.4 160.19 15.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.464 ' CG ' HG13 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -91.83 126.88 37.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.6 t -73.34 178.41 4.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.879 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.7 t -77.99 -20.39 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -108.67 -6.04 16.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 30' ' ' LEU . 55.8 p -107.82 -19.19 13.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.547 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 8.2 pt20 -52.56 151.45 7.77 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.593 0.711 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.4 Cg_endo -69.71 -15.01 12.45 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.658 -1.809 . . . . 0.0 112.349 -0.036 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 27' ' ' THR . 75.3 mt -84.59 177.33 8.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 10.2 p -106.0 177.49 4.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -54.72 -50.73 67.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -52.99 -58.7 6.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 35' ' ' SER . 65.8 m -62.44 -64.67 0.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 34' ' ' CYS . 12.1 t -38.26 -42.72 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -77.68 -40.55 41.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -56.77 -46.22 81.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.822 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.7 ttt-85 -70.95 -44.35 66.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.832 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -43.86 -53.48 6.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.93 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -50.22 -51.98 39.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -68.86 128.93 38.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -59.91 146.2 43.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -166.45 165.47 17.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.5 t -55.53 124.62 17.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 152.16 -156.7 26.85 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 98.99 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.7 2.267 . . . . 0.0 112.379 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 81.5 p -83.48 12.56 5.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 89.0 p -125.29 119.09 27.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.827 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.154 -0.804 . . . . 0.0 112.514 -179.989 . . . . . . . . 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 1.451 -0.35 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 m -131.36 130.95 43.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.88 0.371 . . . . 0.0 110.892 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.8 m -46.32 -56.73 5.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.68 79.69 0.23 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.433 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -58.53 -57.09 14.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.364 . . . . 0.0 110.824 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.5 m 59.85 40.57 19.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.8 112.64 0.26 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.0 t -104.16 123.2 46.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.913 0.387 . . . . 0.0 110.865 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.3 mt -54.83 104.96 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.443 ' SD ' HG22 ' A' ' 25' ' ' VAL . 3.4 mtp -75.82 175.67 8.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -85.58 12.71 8.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.3 t -96.62 122.16 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -56.4 144.87 29.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.438 ' O ' ' C ' ' A' ' 15' ' ' GLU . 15.9 t -52.26 141.0 20.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.511 ' HB3' HD23 ' A' ' 30' ' ' LEU . 33.6 tt0 -34.41 -60.93 0.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.903 HG22 ' H ' ' A' ' 18' ' ' ASN . 83.0 m -54.32 123.82 44.35 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.633 0.73 . . . . 0.0 111.151 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 0.19 6.02 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.706 2.271 . . . . 0.0 112.342 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.903 ' H ' HG22 ' A' ' 16' ' ' THR . 2.5 m120 -110.72 -9.37 14.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.1 t -93.03 109.05 37.02 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.638 0.733 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -2.1 9.56 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.726 2.284 . . . . 0.0 112.373 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -88.09 148.69 24.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -87.01 149.86 24.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -90.4 125.94 35.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.1 t -73.3 178.83 4.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.443 HG22 ' SD ' ' A' ' 10' ' ' MET . 61.7 t -77.97 -18.3 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.138 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -108.68 -7.47 15.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.563 HG21 ' CA ' ' A' ' 32' ' ' HIS . 59.6 p -106.9 -21.54 12.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.207 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.545 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 3.3 pt20 -52.52 151.49 7.64 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.63 0.728 . . . . 0.0 110.877 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.9 Cg_endo -69.73 -13.57 12.34 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.337 -0.04 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.511 HD23 ' HB3' ' A' ' 15' ' ' GLU . 72.2 mt -84.78 175.05 9.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.941 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 34' ' ' CYS . 15.2 p -108.59 149.95 28.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.563 ' CA ' HG21 ' A' ' 27' ' ' THR . 3.4 p80 -35.17 -48.64 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.493 ' H ' ' CD2' ' A' ' 32' ' ' HIS . 2.1 mm-40 -54.5 -42.88 71.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 37' ' ' ARG . 92.6 m -80.67 -57.74 3.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 34' ' ' CYS . 8.3 t -33.0 -52.92 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.476 ' HG3' ' N ' ' A' ' 37' ' ' ARG . 11.0 pt-20 -54.88 -45.43 74.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 34' ' ' CYS . 0.4 OUTLIER -57.11 -48.5 78.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.819 -179.869 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.9 tpt85 -69.31 -30.29 68.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 40' ' ' LYS . 16.6 tt0 -74.75 -66.42 0.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 41' ' ' ASN . 11.2 pttp -37.31 -41.28 0.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 40' ' ' LYS . 28.5 t-20 -36.9 -61.49 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -60.7 129.56 42.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -104.76 104.66 14.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.9 t -116.33 164.06 15.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -39.45 138.59 1.03 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.514 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 124.02 10.68 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.738 2.292 . . . . 0.0 112.336 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.1 m -112.87 106.8 15.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.4 t -62.54 152.58 34.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.513 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.5 p -111.72 143.49 42.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.373 . . . . 0.0 110.833 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.9 m -40.78 -55.36 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.832 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.16 -39.12 1.77 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t 56.72 39.11 29.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.901 0.381 . . . . 0.0 110.858 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.7 p -101.1 119.11 38.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.67 156.46 15.55 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.53 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -118.09 121.55 40.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.901 0.381 . . . . 0.0 110.909 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 99.5 mt -55.98 107.99 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.6 mmt -73.63 178.14 4.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -88.85 13.09 13.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.427 HG13 ' O ' ' A' ' 12' ' ' VAL . 15.0 p -108.36 127.0 65.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -58.3 152.62 17.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.418 ' O ' ' C ' ' A' ' 15' ' ' GLU . 41.4 t -54.71 144.43 22.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.847 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 14' ' ' CYS . 14.5 tm-20 -36.74 -60.57 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.902 HG22 ' H ' ' A' ' 18' ' ' ASN . 79.0 m -52.87 123.74 33.42 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.622 0.725 . . . . 0.0 111.148 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 -1.78 9.08 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.643 2.229 . . . . 0.0 112.317 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.902 ' H ' HG22 ' A' ' 16' ' ' THR . 73.9 m-80 -109.78 -6.11 15.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.4 t -94.3 110.91 51.32 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.643 0.735 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -15.7 37.2 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.656 2.238 . . . . 0.0 112.382 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -80.24 148.07 30.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -83.7 160.6 21.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -100.74 122.11 42.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.447 ' N ' ' OG1' ' A' ' 27' ' ' THR . 2.4 m -70.62 178.26 3.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 48.9 t -75.96 -21.53 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -104.12 -4.45 23.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.456 ' C ' ' O ' ' A' ' 30' ' ' LEU . 64.4 p -110.96 -24.91 10.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.182 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.539 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 3.5 pt20 -51.92 151.75 6.13 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.551 0.691 . . . . 0.0 110.949 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.9 Cg_endo -69.73 -12.45 12.13 Favored 'Cis proline' 0 C--O 1.232 0.202 0 C-N-CA 122.649 -1.813 . . . . 0.0 112.391 -0.051 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.456 ' O ' ' C ' ' A' ' 27' ' ' THR . 80.0 mt -86.56 175.66 8.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 35' ' ' SER . 10.6 p -104.47 178.71 4.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -54.83 -45.78 74.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -62.3 -69.3 0.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 35' ' ' SER . 60.7 m -52.39 -53.41 45.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 31' ' ' CYS . 28.2 t -35.61 -67.41 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.53 ' CD ' ' N ' ' A' ' 37' ' ' ARG . 1.9 pp20? -65.45 -41.69 93.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.858 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.53 ' N ' ' CD ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -42.26 -45.5 4.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 24.7 ttp85 -64.01 -59.8 4.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -43.58 -43.33 5.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -45.72 -48.75 15.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.439 ' C ' ' OD1' ' A' ' 41' ' ' ASN . 11.1 p-10 -60.17 167.64 2.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.873 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -64.84 174.9 1.67 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -143.04 152.92 42.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.8 m 62.45 43.31 8.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -113.82 -107.23 2.76 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -48.99 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.254 . . . . 0.0 112.355 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.3 m -100.31 130.04 46.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 86.8 p -93.57 106.44 18.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.535 -179.963 . . . . . . . . 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 1.452 -0.276 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 m -106.16 136.09 46.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.906 0.384 . . . . 0.0 110.886 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.2 m -55.08 148.9 12.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.31 99.8 1.22 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.528 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 t -94.16 -57.24 2.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.937 0.398 . . . . 0.0 110.848 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.8 m -99.43 141.01 32.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.41 52.12 53.46 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.431 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.818 ' O ' HG23 ' A' ' 25' ' ' VAL . 2.4 t -100.09 161.66 13.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.906 0.384 . . . . 0.0 110.855 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.5 mt -83.49 144.41 29.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 12.6 mmt -100.54 160.09 14.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -82.22 17.91 1.54 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.3 t -108.72 130.14 62.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -59.23 152.76 19.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 15' ' ' GLU . 14.8 t -57.87 138.76 55.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.871 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 14' ' ' CYS . 34.5 tp10 -34.29 -51.28 0.44 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.894 HG22 ' H ' ' A' ' 18' ' ' ASN . 99.0 m -57.21 123.96 63.58 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.54 0.686 . . . . 0.0 111.158 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -0.92 7.56 Favored 'Trans proline' 0 C--N 1.34 0.116 0 C-N-CA 122.714 2.276 . . . . 0.0 112.338 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.894 ' H ' HG22 ' A' ' 16' ' ' THR . 15.7 m-20 -114.71 -13.34 12.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.3 t -89.21 110.54 39.21 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.62 0.724 . . . . 0.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -6.26 18.18 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.687 2.258 . . . . 0.0 112.341 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -70.54 172.58 8.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -113.06 153.04 28.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.403 ' HE2' ' O ' ' A' ' 29' ' ' PRO . 3.7 mtt -74.47 126.96 31.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 t -91.23 155.91 18.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.862 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.818 HG23 ' O ' ' A' ' 8' ' ' SER . 86.6 t -68.9 -11.82 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.161 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -118.04 -6.21 10.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.5 p -117.82 -13.89 10.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.538 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 21.8 pt20 -53.65 151.35 11.29 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.637 0.732 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.7 Cg_endo -69.76 -21.41 10.23 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.711 -1.787 . . . . 0.0 112.37 -0.008 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.467 HD11 ' HE ' ' A' ' 38' ' ' ARG . 26.6 mt -73.37 176.6 5.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 2.8 p -113.38 157.04 22.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.638 ' N ' ' CD2' ' A' ' 32' ' ' HIS . 0.0 OUTLIER -38.75 -66.4 0.28 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 179.93 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.479 ' H ' ' CD2' ' A' ' 32' ' ' HIS . 3.7 tp10 -39.12 -31.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.903 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 37' ' ' ARG . 68.2 m -89.13 -65.74 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 34' ' ' CYS . 2.5 t -35.1 -33.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.474 ' HG3' ' N ' ' A' ' 37' ' ' ARG . 20.5 pt-20 -72.44 -47.05 52.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 34' ' ' CYS . 17.9 ptt180 -69.31 -35.31 75.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.467 ' HE ' HD11 ' A' ' 30' ' ' LEU . 28.7 ttm-85 -64.87 -37.81 88.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 39.5 tp60 -76.16 -42.64 45.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -40.8 -40.95 1.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -101.91 173.53 6.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -126.04 143.91 50.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -114.19 141.35 47.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 63.1 m -74.61 -42.71 58.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.98 107.31 3.48 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.45 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 159.41 53.53 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.691 2.261 . . . . 0.0 112.367 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 31.0 t -102.93 159.2 15.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.9 p -62.69 -49.31 75.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.174 -0.792 . . . . 0.0 112.506 -179.984 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 1' ' ' GLY . 27.9 m -34.8 -61.19 0.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 0.0 110.816 -179.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.1 p -112.82 133.98 54.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.9 -73.91 0.29 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.495 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m 57.79 40.39 26.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.87 0.367 . . . . 0.0 110.843 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t -70.78 156.21 39.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.834 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.5 -177.35 20.77 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.499 ' O ' HG23 ' A' ' 25' ' ' VAL . 62.8 m -101.44 150.52 22.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.877 0.37 . . . . 0.0 110.879 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.492 HD21 ' CE1' ' A' ' 32' ' ' HIS . 81.6 mt -82.98 113.56 20.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.932 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.4 mmt -69.54 163.74 24.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -84.94 17.99 2.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 25.0 t -110.73 140.6 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -68.26 157.56 35.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.0 t -61.12 144.98 52.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.426 ' N ' ' HE2' ' A' ' 23' ' ' MET . 38.7 tt0 -41.83 -54.0 3.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.592 HG22 ' H ' ' A' ' 18' ' ' ASN . 7.2 m -52.02 126.24 33.98 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.554 0.692 . . . . 0.0 111.174 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -1.63 8.78 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.692 2.261 . . . . 0.0 112.37 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.592 ' H ' HG22 ' A' ' 16' ' ' THR . 67.8 m-20 -118.0 6.89 12.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.9 t -113.38 106.99 53.99 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.653 0.74 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 -16.29 37.17 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.686 2.258 . . . . 0.0 112.348 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.602 ' CE2' ' OE1' ' A' ' 33' ' ' GLU . 40.2 m-85 -56.0 160.23 2.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -101.34 147.91 25.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.44 ' HB3' ' CG ' ' A' ' 28' ' ' GLN . 3.1 mtt -73.42 140.12 46.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.852 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.79 157.64 16.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 8' ' ' SER . 58.5 t -68.39 -10.86 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.401 ' O ' ' OD1' ' A' ' 26' ' ' ASN . 6.9 t-20 -117.29 -14.49 10.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.519 HG21 ' CA ' ' A' ' 32' ' ' HIS . 22.6 p -108.98 -13.92 14.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.537 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 11.5 mt-30 -55.54 152.38 17.94 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.623 0.725 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.8 Cg_endo -69.7 -22.68 9.44 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.367 -0.05 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 62.7 mt -73.05 175.5 6.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.462 ' O ' ' C ' ' A' ' 32' ' ' HIS . 8.4 p -106.92 148.9 28.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.673 ' N ' ' CD2' ' A' ' 32' ' ' HIS . 0.0 OUTLIER -31.99 -56.7 0.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.836 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.602 ' OE1' ' CE2' ' A' ' 21' ' ' PHE . 6.6 mt-10 -47.88 -51.01 24.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 36' ' ' GLU . 84.3 m -77.83 -63.35 1.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.48 ' C ' ' O ' ' A' ' 34' ' ' CYS . 84.0 p -32.05 -37.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.843 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 34' ' ' CYS . 20.0 pt-20 -90.04 -42.41 11.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 34' ' ' CYS . 29.2 ttt180 -51.76 -39.76 59.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 46.5 ttt180 -63.78 -55.4 23.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -40.92 -47.17 2.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.9 tptp -49.32 -58.39 5.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -83.78 131.76 34.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -83.93 145.2 28.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.952 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -162.95 162.89 26.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.5 t 58.6 45.29 16.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -130.56 -83.64 0.3 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.477 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 3.1 2.96 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.69 2.26 . . . . 0.0 112.345 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.9 p -80.96 138.04 36.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 59.7 p -61.24 126.49 27.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.098 -0.835 . . . . 0.0 112.524 179.984 . . . . . . . . 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 -0.312 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t -144.54 170.61 15.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.899 0.38 . . . . 0.0 110.858 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.1 p -148.87 150.33 32.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.34 -105.29 0.46 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.534 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.0 m -47.42 -48.21 26.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.844 0.354 . . . . 0.0 110.855 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.0 t -60.15 -53.8 53.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.15 165.31 33.97 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.468 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.618 ' O ' HG23 ' A' ' 25' ' ' VAL . 11.1 t -138.3 121.0 16.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.925 0.393 . . . . 0.0 110.852 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 75.8 mt -52.73 116.75 2.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.1 mtp -79.78 175.46 10.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.0 p-10 -84.68 16.89 2.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.5 t -107.14 154.46 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.523 ' CE ' ' N ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -81.98 145.79 30.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 15' ' ' GLU . 35.4 t -52.87 142.41 19.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 14' ' ' CYS . 28.6 tp10 -35.08 -53.85 0.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.894 HG22 ' H ' ' A' ' 18' ' ' ASN . 88.6 m -60.71 122.68 70.15 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.602 0.715 . . . . 0.0 111.116 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 0.89 5.04 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.653 2.236 . . . . 0.0 112.317 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.894 ' H ' HG22 ' A' ' 16' ' ' THR . 33.0 m-80 -112.96 -9.17 13.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 33.8 t -90.39 109.9 37.02 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.658 0.742 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -1.08 7.84 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.737 2.291 . . . . 0.0 112.316 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -91.47 152.09 20.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -90.02 149.21 22.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -80.75 134.59 35.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.413 ' HB3' HG23 ' A' ' 27' ' ' THR . 1.1 t -82.33 175.09 10.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 8' ' ' SER . 60.1 t -77.73 -20.39 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.128 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -111.56 1.99 17.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.413 HG23 ' HB3' ' A' ' 24' ' ' SER . 24.9 p -117.99 -15.87 9.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.133 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.552 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 14.1 pt20 -54.71 151.12 15.83 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.604 0.716 . . . . 0.0 110.943 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.9 Cg_endo -69.78 -21.36 10.29 Favored 'Cis proline' 0 C--O 1.232 0.184 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.326 0.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.421 HD22 ' CB ' ' A' ' 34' ' ' CYS . 34.8 mt -74.05 172.95 10.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 6.3 p -105.27 178.08 4.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -54.98 -53.61 53.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -52.03 -65.03 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 35' ' ' SER . 80.9 m -53.23 -58.66 6.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 34' ' ' CYS . 8.6 t -35.58 -67.91 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.476 ' HA ' ' CG ' ' A' ' 39' ' ' GLN . 19.1 pt-20 -60.37 -40.94 92.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.4 ttt-85 -54.93 -33.67 62.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 39' ' ' GLN . 5.6 tpt180 -84.25 -67.92 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.476 ' CG ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -37.91 -41.81 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.9 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.6 mttp -47.67 -48.51 29.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -69.84 165.89 20.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.7 mp0 -108.35 115.5 30.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 -39.24 -42.68 1.02 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.3 m -74.37 125.12 27.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.57 -112.24 2.83 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -4.55 14.23 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.732 2.288 . . . . 0.0 112.313 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.0 m -94.32 159.22 15.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.2 t -137.58 156.2 48.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.836 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.104 -0.831 . . . . 0.0 112.513 -179.965 . . . . . . . . 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 -0.301 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 m -44.44 -49.58 9.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 0.0 110.826 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.4 m -120.37 139.32 52.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.3 93.47 0.64 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.531 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -145.24 123.03 11.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.878 0.371 . . . . 0.0 110.847 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.6 m -73.43 113.23 10.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -40.4 151.26 0.11 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.473 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.3 t -149.01 121.98 8.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.923 0.392 . . . . 0.0 110.889 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 76.3 mt -57.13 104.31 0.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.463 ' SD ' HG22 ' A' ' 25' ' ' VAL . 16.4 mtm -75.04 174.56 9.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.5 p30 -83.97 10.74 9.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.9 t -94.42 132.6 38.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.124 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -64.97 149.32 49.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 15' ' ' GLU . 41.4 t -58.21 142.38 47.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 14' ' ' CYS . 4.9 tm-20 -35.0 -62.32 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.857 HG22 ' H ' ' A' ' 18' ' ' ASN . 90.6 m -52.01 124.3 28.66 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.584 0.706 . . . . 0.0 111.177 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 1.32 4.53 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.719 2.279 . . . . 0.0 112.331 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.857 ' H ' HG22 ' A' ' 16' ' ' THR . 47.1 t30 -111.52 -13.85 13.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.6 t -89.82 109.9 35.82 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.639 0.733 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -17.58 37.52 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.644 2.23 . . . . 0.0 112.37 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -71.1 147.63 48.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.402 ' O ' ' HB2' ' A' ' 31' ' ' CYS . 62.8 m-85 -84.83 153.17 23.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.6 ptp -94.25 128.96 41.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.429 ' HB3' HG23 ' A' ' 27' ' ' THR . 0.9 OUTLIER -74.61 177.85 5.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.803 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.463 HG22 ' SD ' ' A' ' 10' ' ' MET . 57.3 t -77.25 -24.0 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.184 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -106.54 0.35 24.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.462 ' C ' ' O ' ' A' ' 30' ' ' LEU . 28.8 p -113.29 -25.84 8.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.535 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 11.9 pt20 -52.18 153.91 4.52 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.623 0.725 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.5 Cg_endo -69.78 -10.9 11.76 Favored 'Cis proline' 0 C--O 1.231 0.147 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.358 0.037 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.462 ' O ' ' C ' ' A' ' 27' ' ' THR . 93.7 mt -86.76 165.84 15.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.461 ' O ' ' C ' ' A' ' 32' ' ' HIS . 10.1 p -100.58 152.95 19.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.461 ' C ' ' O ' ' A' ' 31' ' ' CYS . 2.0 t-160 -32.0 -44.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -62.19 -58.87 6.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.47 ' HA ' ' CD ' ' A' ' 37' ' ' ARG . 81.3 m -66.58 -15.37 63.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.9 t -84.13 -46.52 11.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -66.89 -30.39 70.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.47 ' CD ' ' HA ' ' A' ' 34' ' ' CYS . 48.1 ptt85 -76.52 -41.04 48.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.891 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.3 mmm-85 -70.97 -50.11 38.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -45.43 -35.28 3.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.6 tptt -48.44 -44.44 35.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -70.17 143.79 52.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -51.5 -42.44 61.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -41.88 -56.44 2.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.9 t -99.13 136.42 39.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.66 175.63 41.51 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.447 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 2.56 3.42 Favored 'Trans proline' 0 C--O 1.231 0.131 0 C-N-CA 122.701 2.267 . . . . 0.0 112.326 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 65.3 m -97.62 119.77 36.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 68.8 m -128.89 147.49 50.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.835 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 CA-C-O 119.184 -0.786 . . . . 0.0 112.464 -179.987 . . . . . . . . 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 1.452 -0.297 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.2 m -96.48 156.26 16.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.889 0.376 . . . . 0.0 110.864 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.6 t -39.09 -50.65 1.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.874 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.11 140.95 15.33 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.6 m -95.92 128.89 43.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.921 0.391 . . . . 0.0 110.826 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.7 t -132.1 104.77 6.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.842 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.88 73.82 0.22 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.506 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.443 ' O ' HG23 ' A' ' 25' ' ' VAL . 25.9 t -81.84 127.89 33.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.895 0.378 . . . . 0.0 110.888 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.2 mt -58.36 136.5 57.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.6 mmt -88.98 165.55 14.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -82.79 16.68 2.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.813 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.528 HG13 ' SD ' ' A' ' 23' ' ' MET . 12.4 p -115.34 136.0 53.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.105 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -65.76 158.89 26.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.8 t -62.1 144.29 55.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -45.26 -47.81 12.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.916 HG22 ' H ' ' A' ' 18' ' ' ASN . 46.0 m -54.61 126.78 57.73 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.526 0.679 . . . . 0.0 111.168 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -4.82 14.79 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.663 2.242 . . . . 0.0 112.372 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.916 ' H ' HG22 ' A' ' 16' ' ' THR . 8.2 m-20 -118.01 13.52 13.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.432 ' HA ' ' HD2' ' A' ' 20' ' ' PRO . 12.0 t -120.0 106.72 40.83 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.657 0.741 . . . . 0.0 110.914 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 19' ' ' CYS . 53.1 Cg_endo -69.79 -18.09 37.08 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.632 2.221 . . . . 0.0 112.316 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.43 ' CE2' ' HG3' ' A' ' 33' ' ' GLU . 45.8 m-85 -55.64 165.48 0.84 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -104.9 152.94 22.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.528 ' SD ' HG13 ' A' ' 12' ' ' VAL . 2.4 mtt -77.65 118.68 20.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.472 ' HB2' HG23 ' A' ' 27' ' ' THR . 11.9 m -80.49 175.06 11.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.863 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 8' ' ' SER . 96.8 t -77.24 -24.29 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.13 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -108.65 1.79 21.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.722 HG21 ' HA ' ' A' ' 32' ' ' HIS . 24.7 p -117.57 -15.74 10.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.113 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.555 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 17.2 pt20 -55.3 146.08 43.59 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.589 0.709 . . . . 0.0 110.921 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.5 Cg_endo -69.77 -25.08 8.24 Favored 'Cis proline' 0 C--O 1.232 0.2 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.339 -0.032 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 75.5 mt -68.28 178.34 1.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.4 p -105.17 179.15 4.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.722 ' HA ' HG21 ' A' ' 27' ' ' THR . 2.7 t-160 -55.92 -54.76 40.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.463 ' O ' ' CG ' ' A' ' 36' ' ' GLU . 6.2 mm-40 -51.76 -66.42 0.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 74.3 m -52.29 -55.29 22.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.2 t -38.79 -58.3 1.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.472 ' HG3' ' N ' ' A' ' 37' ' ' ARG . 5.2 pt-20 -63.96 -36.11 82.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.852 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.472 ' N ' ' HG3' ' A' ' 36' ' ' GLU . 54.3 mtt-85 -60.64 -41.99 96.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.838 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 30.2 ttp180 -73.26 -42.49 62.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.839 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.405 ' O ' ' N ' ' A' ' 41' ' ' ASN . 10.0 mm100 -64.87 -58.17 6.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.464 ' HG3' ' N ' ' A' ' 41' ' ' ASN . 21.0 pttt -37.51 -32.37 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.464 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 1.5 p-10 -40.61 -44.49 2.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.828 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -129.49 135.75 49.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -61.33 162.31 7.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.5 t -42.95 -57.34 2.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -50.01 124.71 17.69 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 84.33 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 84.7 p -91.9 132.87 36.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 t -67.83 -52.39 37.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.484 179.999 . . . . . . . . 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 1.451 -0.357 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -81.62 -61.03 2.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.857 0.36 . . . . 0.0 110.881 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.9 m -84.69 -53.71 5.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.21 86.8 0.49 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.474 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.4 m -105.62 169.14 8.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.857 0.361 . . . . 0.0 110.867 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.4 p -77.84 137.14 38.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.01 -165.6 40.82 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.459 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.728 ' O ' HG23 ' A' ' 25' ' ' VAL . 60.7 m -148.37 122.05 9.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.848 0.356 . . . . 0.0 110.887 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.452 HD22 ' HB2' ' A' ' 22' ' ' PHE . 19.8 mt -63.3 121.11 12.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.967 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.5 mmt -75.91 167.85 21.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -81.38 15.31 2.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.491 HG13 ' SD ' ' A' ' 23' ' ' MET . 11.8 p -111.18 139.41 35.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -68.28 153.85 42.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 15' ' ' GLU . 13.1 t -56.07 138.06 50.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.871 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.48 ' N ' ' HE2' ' A' ' 23' ' ' MET . 13.1 tp10 -34.57 -46.77 0.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.853 HG22 ' H ' ' A' ' 18' ' ' ASN . 45.5 m -62.12 125.45 85.42 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.568 0.699 . . . . 0.0 111.116 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -6.57 18.91 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.662 2.242 . . . . 0.0 112.354 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.853 ' H ' HG22 ' A' ' 16' ' ' THR . 47.1 m-20 -114.11 14.23 18.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.852 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 12.5 t -119.24 114.66 34.76 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.634 0.73 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -22.74 31.86 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.712 2.275 . . . . 0.0 112.362 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -54.11 159.66 1.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.452 ' HB2' HD22 ' A' ' 9' ' ' LEU . 76.2 m-85 -105.26 146.67 28.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.491 ' SD ' HG13 ' A' ' 12' ' ' VAL . 4.6 mtt -68.18 125.92 27.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.405 ' HB3' HG23 ' A' ' 27' ' ' THR . 1.0 OUTLIER -88.56 155.18 19.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.859 -179.82 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 8' ' ' SER . 6.7 t -67.95 -12.84 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.127 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -118.03 -5.48 10.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.405 HG23 ' HB3' ' A' ' 24' ' ' SER . 27.8 p -116.24 -15.89 11.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.182 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.541 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 19.7 pt20 -52.43 152.26 6.54 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.565 0.698 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.6 Cg_endo -69.78 -24.81 8.38 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.719 -1.784 . . . . 0.0 112.314 0.033 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 52.9 mt -72.81 172.07 11.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.461 ' O ' ' C ' ' A' ' 32' ' ' HIS . 13.6 p -104.41 153.64 20.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.461 ' C ' ' O ' ' A' ' 31' ' ' CYS . 1.7 t-80 -32.83 -54.94 0.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 3.8 tp10 -51.37 -68.3 0.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 37' ' ' ARG . 79.8 m -58.97 -63.18 1.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 34' ' ' CYS . 19.1 m -34.94 -55.63 0.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 33' ' ' GLU . 4.8 pt-20 -69.34 -34.87 75.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 34' ' ' CYS . 19.5 tpt180 -54.08 -51.97 62.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -52.35 -44.66 65.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -48.94 -54.69 14.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.5 tptp -40.37 -47.08 2.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -61.35 119.83 9.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.502 ' C ' ' CG ' ' A' ' 43' ' ' ASN . 4.7 mp0 -79.23 -57.99 3.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.502 ' CG ' ' C ' ' A' ' 42' ' ' GLN . 0.5 OUTLIER 51.47 41.66 28.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.4 ' O ' ' HD3' ' A' ' 46' ' ' PRO . 18.9 p 52.37 41.0 30.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.829 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.24 100.09 2.13 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.531 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 44' ' ' SER . 53.7 Cg_endo -69.8 96.13 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.637 2.225 . . . . 0.0 112.356 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 79.2 p -113.13 176.05 5.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.8 m -164.08 170.8 16.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.882 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.534 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 1' ' ' GLY . 31.0 p -35.95 -43.47 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.886 0.374 . . . . 0.0 110.844 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t 65.38 41.96 4.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.33 40.09 1.51 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.471 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 t -96.39 132.38 41.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.833 0.349 . . . . 0.0 110.88 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.8 p 52.38 38.61 25.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.831 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.12 -176.51 54.65 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.447 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.2 t -142.18 133.09 25.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.892 0.377 . . . . 0.0 110.849 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.0 mt -61.88 107.88 0.92 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.9 mmt -74.53 175.58 7.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -83.44 16.18 2.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.553 HG13 ' HG3' ' A' ' 23' ' ' MET . 6.3 p -110.96 137.97 41.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.139 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.478 ' O ' ' HE2' ' A' ' 23' ' ' MET . 4.0 mppt? -71.85 152.09 42.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 21' ' ' PHE . 23.6 t -52.55 138.72 27.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 14' ' ' CYS . 14.9 tp10 -35.61 -56.43 0.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.772 HG22 ' H ' ' A' ' 18' ' ' ASN . 32.1 m -52.12 122.72 24.67 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.564 0.697 . . . . 0.0 111.153 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -4.58 14.34 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.651 2.234 . . . . 0.0 112.314 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.772 ' H ' HG22 ' A' ' 16' ' ' THR . 12.1 m-80 -109.85 -6.72 15.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 11.7 t -95.14 109.57 45.41 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.677 0.751 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -5.68 16.78 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.677 2.252 . . . . 0.0 112.372 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.538 ' CD1' ' OE2' ' A' ' 33' ' ' GLU . 87.8 m-85 -85.47 148.15 26.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -85.71 160.02 19.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.553 ' HG3' HG13 ' A' ' 12' ' ' VAL . 0.4 OUTLIER -102.72 119.88 39.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.43 ' N ' ' OG1' ' A' ' 27' ' ' THR . 51.4 m -73.39 174.52 8.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.6 t -72.77 -21.72 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.166 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -104.29 -0.17 28.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 30' ' ' LEU . 69.7 p -117.48 -23.86 7.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.543 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 8.5 pt20 -51.98 151.25 6.78 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.552 0.692 . . . . 0.0 110.919 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.4 Cg_endo -69.7 -15.6 12.3 Favored 'Cis proline' 0 C--O 1.231 0.172 0 C-N-CA 122.74 -1.775 . . . . 0.0 112.349 -0.062 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.479 HD22 ' CB ' ' A' ' 34' ' ' CYS . 43.0 mt -82.94 174.46 10.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.402 ' O ' ' HB3' ' A' ' 35' ' ' SER . 29.7 p -106.07 178.17 4.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.939 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -59.27 -36.09 74.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.538 ' OE2' ' CD1' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -66.85 -50.27 63.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.479 ' CB ' HD22 ' A' ' 30' ' ' LEU . 85.5 m -75.03 -24.12 58.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.485 ' HA ' ' CD ' ' A' ' 38' ' ' ARG . 6.7 t -82.84 -33.81 27.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.491 ' O ' ' CG ' ' A' ' 39' ' ' GLN . 0.2 OUTLIER -79.61 -35.24 39.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.846 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -76.32 -32.83 58.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.485 ' CD ' ' HA ' ' A' ' 35' ' ' SER . 21.8 ptt180 -72.01 -35.89 69.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.491 ' CG ' ' O ' ' A' ' 36' ' ' GLU . 12.2 pt20 -65.64 -34.57 78.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -55.5 -38.4 69.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -45.42 -46.31 13.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 56.84 45.62 21.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -88.77 -54.36 4.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 97.0 p -63.51 159.54 18.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.834 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 102.82 136.95 9.33 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.494 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -50.32 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.649 2.233 . . . . 0.0 112.363 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 71.0 m -47.18 -46.02 23.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 57.8 m -86.66 143.58 27.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.492 -179.986 . . . . . . . . 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 -0.354 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.8 p -58.08 -45.98 86.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.844 0.354 . . . . 0.0 110.85 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 m -67.22 -56.46 9.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.67 141.16 2.8 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.9 p -91.14 129.35 37.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.889 0.376 . . . . 0.0 110.869 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.8 p -70.73 -48.71 53.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.821 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.75 142.59 48.28 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.484 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.855 ' O ' HG23 ' A' ' 25' ' ' VAL . 4.7 p -100.14 130.47 46.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.914 0.388 . . . . 0.0 110.886 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.469 HD22 ' HB2' ' A' ' 22' ' ' PHE . 20.6 mt -62.33 166.65 4.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.933 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 9.5 mmt -119.7 172.2 7.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.26 14.35 8.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.44 HG22 ' N ' ' A' ' 13' ' ' LYS . 13.1 p -113.04 155.51 14.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.511 ' CE ' ' N ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -85.03 157.26 20.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 179.876 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.2 t -56.61 144.36 32.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.504 ' N ' ' HE2' ' A' ' 23' ' ' MET . 7.7 tt0 -40.52 -55.51 2.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.939 HG22 ' H ' ' A' ' 18' ' ' ASN . 53.0 m -53.48 124.6 41.45 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.654 0.74 . . . . 0.0 111.154 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 1.24 4.61 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.719 2.279 . . . . 0.0 112.292 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.939 ' H ' HG22 ' A' ' 16' ' ' THR . 18.0 m120 -117.52 -7.38 11.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.0 t -95.69 115.38 65.46 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.652 0.739 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -28.12 25.93 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.668 2.245 . . . . 0.0 112.37 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -52.56 161.98 0.62 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.469 ' HB2' HD22 ' A' ' 9' ' ' LEU . 24.6 m-85 -106.73 157.98 17.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.877 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.504 ' HE2' ' N ' ' A' ' 15' ' ' GLU . 6.5 mtt -75.06 140.84 43.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.423 ' HB3' HG23 ' A' ' 27' ' ' THR . 1.1 t -107.34 164.43 12.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.855 HG23 ' O ' ' A' ' 8' ' ' SER . 62.1 t -71.68 -17.06 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.138 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.84 -2.96 11.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.532 HG21 ' HA ' ' A' ' 32' ' ' HIS . 21.7 p -116.55 -20.79 9.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.536 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 5.4 pt20 -51.95 153.02 4.86 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.613 0.72 . . . . 0.0 110.935 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 28' ' ' GLN . 53.8 Cg_endo -69.74 -18.45 11.61 Favored 'Cis proline' 0 C--N 1.342 0.209 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.353 -0.024 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.2 mt -76.38 178.24 6.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.9 p -103.05 169.47 8.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.846 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.532 ' HA ' HG21 ' A' ' 27' ' ' THR . 0.6 OUTLIER -47.29 -49.1 24.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.843 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.507 ' H ' ' CD2' ' A' ' 32' ' ' HIS . 27.5 tt0 -56.13 -68.56 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 35' ' ' SER . 78.8 m -49.33 -58.47 5.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 34' ' ' CYS . 6.7 t -34.48 -53.9 0.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -73.0 -39.17 66.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -47.27 -44.49 23.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 25.0 ttt180 -65.23 -46.65 79.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -53.68 -48.29 69.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 35.1 tttm -46.04 -56.1 6.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -91.06 119.05 30.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -114.53 167.18 10.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -134.87 150.69 50.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.9 t -63.67 152.7 38.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 141.24 146.74 4.79 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.501 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -1.39 8.39 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.694 2.263 . . . . 0.0 112.324 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 42.7 m -47.35 -60.63 2.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 57.8 m -52.37 -51.62 57.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.171 -0.794 . . . . 0.0 112.464 -179.964 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_