data_2emm_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 2emm _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.6 0.714 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.429 ' HG2' ' CD2' ' A' ' 13' ' ' HIS . 53.5 Cg_endo -69.75 -3.41 11.96 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.706 2.27 . . . . 0.0 112.353 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.429 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 68.3 m-70 -128.81 131.18 47.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.46 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 0.6 OUTLIER -141.18 144.8 34.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.46 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 12.2 t -74.6 136.72 42.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.4 m-20 -92.37 -6.97 49.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.586 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 18.0 mm-40 -84.71 -53.24 5.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.0 p -108.54 -49.36 3.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 130.26 1.92 5.15 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.498 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.466 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 20.9 mtpp -59.52 176.11 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.762 0.315 . . . . 0.0 110.89 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.9 p -144.27 153.03 41.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.423 ' CE1' HD11 ' A' ' 28' ' ' LEU . 46.2 m-85 -141.35 151.14 43.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.7 mt -63.3 -51.1 75.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -106.83 153.63 22.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.8 p -62.45 -54.18 43.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.25 -33.9 0.69 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.097 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 58.5 m170 -66.3 -44.23 84.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.423 HD11 ' CE1' ' A' ' 22' ' ' PHE . 42.6 tp -73.21 -54.55 8.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 40.4 mt -43.39 -31.72 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.172 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -82.44 -39.07 23.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.934 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.549 ' CE1' HD12 ' A' ' 34' ' ' ILE . 17.2 t60 -62.47 -54.45 39.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -38.99 -26.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 31' ' ' HIS . 67.9 mtm180 -58.3 -46.98 85.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.549 HD12 ' CE1' ' A' ' 31' ' ' HIS . 9.9 pt -45.54 -24.01 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.586 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 93.3 m-70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.467 ' HD2' ' N ' ' A' ' 11' ' ' ARG . 3.0 mpt_? . . . . . 0 C--O 1.231 0.086 0 CA-C-O 121.64 0.733 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -3.9 12.94 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.648 2.232 . . . . 0.0 112.371 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -117.07 102.16 9.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -113.69 126.77 55.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.5 t -61.58 122.57 15.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -87.29 22.27 2.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.48 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 42.2 mm-40 -119.27 -38.72 2.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.845 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.2 p -129.28 -41.64 1.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 132.14 -21.97 4.3 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.475 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.1 mtpt -54.8 130.93 42.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.815 0.34 . . . . 0.0 110.859 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.0 p -112.41 164.44 13.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.422 ' CD1' HD12 ' A' ' 28' ' ' LEU . 18.8 m-85 -141.61 155.85 45.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.405 HD13 ' NH1' ' A' ' 11' ' ' ARG . 4.9 mp -71.54 -47.25 59.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -97.89 141.65 30.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.3 p -61.12 -34.92 75.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.78 -34.18 74.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.098 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 54.6 m170 -65.9 -40.27 91.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.422 HD12 ' CD1' ' A' ' 22' ' ' PHE . 61.9 tp -75.4 -58.28 3.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.7 mt -38.48 -35.41 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -81.35 -41.86 21.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.568 ' CE1' HD11 ' A' ' 34' ' ' ILE . 33.1 t60 -61.18 -52.87 63.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -46.02 -21.09 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.405 ' N ' ' C ' ' A' ' 31' ' ' HIS . 20.9 mmm180 -62.99 -40.95 99.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.568 HD11 ' CE1' ' A' ' 31' ' ' HIS . 7.0 pt -53.53 -16.99 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.48 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 74.2 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.444 ' HD2' ' N ' ' A' ' 11' ' ' ARG . 5.6 mpt_? . . . . . 0 C--O 1.231 0.097 0 CA-C-O 121.614 0.721 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.535 ' HG2' ' CD2' ' A' ' 13' ' ' HIS . 53.9 Cg_endo -69.75 -3.6 12.34 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.319 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.535 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 37.3 m-70 -127.18 110.82 13.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.879 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.7 tttt -123.74 135.98 54.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.9 t -64.78 131.05 45.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 60.0 m-20 -95.75 20.71 9.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.426 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 12.4 mm-40 -119.41 -38.9 2.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.1 p -125.23 -46.54 1.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 135.69 -24.74 3.3 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.487 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -50.99 132.43 27.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.833 0.349 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.469 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 78.2 p -110.84 163.06 14.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.469 ' CD1' ' C ' ' A' ' 21' ' ' SER . 4.6 m-85 -140.27 163.03 33.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.3 mt -79.55 -50.23 18.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.495 HE21 ' CE1' ' A' ' 27' ' ' HIS . 25.7 mt-30 -100.32 130.88 46.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 71.4 p -47.92 -46.7 32.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.81 -44.48 39.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.09 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.495 ' CE1' HE21 ' A' ' 24' ' ' GLN . 58.7 m170 -56.26 -49.36 74.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 31' ' ' HIS . 56.4 tp -67.33 -56.67 8.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.4 mt -39.96 -34.4 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -83.9 -33.17 24.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.52 ' CE1' ' CD1' ' A' ' 34' ' ' ILE . 17.0 t60 -69.5 -38.92 77.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -56.77 -14.21 3.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -74.05 -12.95 60.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.52 ' CD1' ' CE1' ' A' ' 31' ' ' HIS . 11.3 pt -73.53 -13.83 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.165 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.426 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 50.4 m-70 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.819 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.9 mtt85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.621 0.725 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 2.63 3.34 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.696 2.264 . . . . 0.0 112.375 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.487 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 77.7 m-70 -137.66 131.69 31.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.8 ttpt -143.1 124.96 15.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.6 t -55.49 131.68 46.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 -91.14 21.9 4.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -117.35 -63.95 1.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.823 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.2 p -95.6 -38.97 10.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.04 13.26 7.2 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.466 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.534 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 25.6 mttm -72.92 173.25 9.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.777 0.322 . . . . 0.0 110.925 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 89.0 p -144.96 152.23 39.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -137.31 161.65 35.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 69.3 mt -68.91 -61.34 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -100.79 158.47 15.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.487 ' HB3' ' CE1' ' A' ' 13' ' ' HIS . 69.7 p -62.38 -44.67 95.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.92 -41.48 24.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.103 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 54.2 m170 -59.74 -50.41 73.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 31' ' ' HIS . 52.6 tp -64.26 -56.16 16.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 81.9 mt -42.48 -33.25 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.12 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -81.02 -32.26 34.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.958 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.554 ' CE1' HD13 ' A' ' 34' ' ' ILE . 12.4 t60 -72.85 -51.28 19.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -43.19 -22.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 31' ' ' HIS . 70.1 mtt-85 -61.41 -43.03 99.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.554 HD13 ' CE1' ' A' ' 31' ' ' HIS . 6.8 pt -53.84 -14.72 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 179.915 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.636 0.732 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -3.92 12.98 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.691 2.261 . . . . 0.0 112.323 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.409 ' CE1' ' OG ' ' A' ' 25' ' ' SER . 57.0 m-70 -122.06 115.73 23.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.3 tttt -129.82 136.96 50.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.9 t -73.93 128.18 34.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -91.7 22.77 3.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.475 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 6.3 mm-40 -118.28 -46.15 2.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.5 p -116.92 -43.81 2.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.71 20.32 3.2 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.495 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.3 mtpt -93.34 131.33 38.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.811 0.338 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.409 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 93.4 p -109.3 159.61 16.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.409 ' CD1' ' C ' ' A' ' 21' ' ' SER . 15.4 m-85 -141.15 157.28 45.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 54.1 mt -66.94 -57.6 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.125 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.401 ' OE1' ' CE1' ' A' ' 27' ' ' HIS . 55.3 mt-30 -98.14 152.94 18.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.409 ' OG ' ' CE1' ' A' ' 13' ' ' HIS . 12.9 m -62.28 -48.49 79.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.72 -41.9 11.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.088 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.401 ' CE1' ' OE1' ' A' ' 24' ' ' GLN . 38.0 m170 -60.92 -41.2 95.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 31' ' ' HIS . 49.0 tp -74.7 -56.45 4.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 63.4 mt -42.27 -32.19 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -84.0 -35.85 23.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.48 ' CE1' HD11 ' A' ' 34' ' ' ILE . 4.8 t60 -67.72 -44.52 77.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -51.26 -26.79 7.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.3 mtm180 -57.65 -28.87 64.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.557 HG13 ' CE1' ' A' ' 35' ' ' HIS . 8.5 pt -58.68 -16.55 8.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.159 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.557 ' CE1' HG13 ' A' ' 34' ' ' ILE . 39.4 m-70 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.616 0.722 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.536 ' HG2' ' CD2' ' A' ' 13' ' ' HIS . 53.6 Cg_endo -69.76 -0.96 7.67 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.697 2.264 . . . . 0.0 112.339 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.552 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 33.4 m-70 -121.03 87.34 2.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.3 tttt -96.05 136.32 36.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.7 t -64.78 129.24 39.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -90.3 21.99 3.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.546 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 49.9 mm-40 -121.55 -43.65 2.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.2 p -122.46 -49.19 2.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 139.97 -18.23 2.95 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.515 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.6 mttp -57.05 129.67 42.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.801 0.334 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -106.77 162.7 13.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.412 ' CE1' HD12 ' A' ' 28' ' ' LEU . 16.2 m-85 -139.69 146.65 39.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 76.7 mt -59.04 -43.06 88.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.139 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -107.7 149.19 28.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.552 ' HB3' ' CE1' ' A' ' 13' ' ' HIS . 79.9 p -67.13 -34.5 77.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.25 -35.34 78.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.118 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 45.3 m170 -65.57 -32.56 74.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 31' ' ' HIS . 60.8 tp -80.38 -53.16 6.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.6 mt -44.49 -31.96 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -83.38 -28.35 29.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.559 ' CE1' HD11 ' A' ' 34' ' ' ILE . 50.2 t60 -77.44 -49.69 14.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.814 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -45.83 -21.2 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.406 ' N ' ' C ' ' A' ' 31' ' ' HIS . 16.6 mtt-85 -63.17 -39.94 96.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.559 HD11 ' CE1' ' A' ' 31' ' ' HIS . 7.4 pt -54.64 -16.49 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.137 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.546 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 87.6 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.638 0.733 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -2.01 9.46 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.333 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -139.75 126.56 20.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -142.0 146.83 36.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.8 t -84.3 157.02 21.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -105.36 -32.03 8.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.461 ' HG3' ' CB ' ' A' ' 35' ' ' HIS . 44.5 mm-40 -61.92 -59.6 4.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.7 p -101.74 -47.6 4.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.14 24.02 4.01 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.517 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.5 mttp -82.49 136.09 34.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.783 0.325 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 24.7 p -104.73 144.11 32.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.418 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 74.1 m-85 -127.81 167.43 16.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.7 mp -88.93 -47.83 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.083 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -98.86 137.51 37.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.8 p -58.47 -20.98 49.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.19 -34.73 61.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.084 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 66.6 m170 -64.14 -34.13 77.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.7 tp -78.67 -53.32 7.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.1 mt -45.53 -29.71 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.1 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -91.8 -35.66 13.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.568 ' CE1' HD13 ' A' ' 34' ' ' ILE . 8.7 t60 -63.88 -45.96 87.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -52.94 -17.41 1.41 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -67.63 -28.95 68.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.568 HD13 ' CE1' ' A' ' 31' ' ' HIS . 9.1 pt -59.41 -13.15 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.461 ' CB ' ' HG3' ' A' ' 17' ' ' GLU . 44.6 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.803 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.6 mtt180 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.599 0.714 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -3.89 12.92 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.653 2.235 . . . . 0.0 112.395 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.507 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 87.6 m-70 -136.06 134.7 38.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.2 tttt -143.52 152.28 41.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.2 t -88.92 122.06 31.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.6 t30 -86.22 21.95 1.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.556 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 41.6 mm-40 -115.63 -56.25 2.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.3 p -113.17 -31.96 6.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.12 10.3 11.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.0 mmtt -70.57 134.91 48.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.8 0.333 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.5 p -115.26 151.47 34.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.425 ' CD2' ' HB3' ' A' ' 27' ' ' HIS . 22.6 m-85 -139.03 159.61 41.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 37.6 mt -75.05 -46.01 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -104.32 154.83 19.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.507 ' HB3' ' CE1' ' A' ' 13' ' ' HIS . 85.9 p -66.75 -44.38 81.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.27 -39.45 30.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.09 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.425 ' HB3' ' CD2' ' A' ' 22' ' ' PHE . 48.9 m170 -61.7 -45.07 95.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.1 tp -71.73 -56.51 5.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 26.4 mt -41.49 -32.21 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -84.48 -45.66 12.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.559 ' CE1' HD13 ' A' ' 34' ' ' ILE . 21.0 t60 -54.77 -49.8 70.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -43.86 -22.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 31' ' ' HIS . 81.6 mtp180 -61.4 -42.47 98.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.559 HD13 ' CE1' ' A' ' 31' ' ' HIS . 7.4 pt -53.68 -17.09 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.556 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 82.7 m-70 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 60.0 mmt-85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.579 0.704 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 2.85 3.16 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.702 2.268 . . . . 0.0 112.35 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.553 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 56.6 m-70 -153.72 121.09 5.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -131.04 145.48 52.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.3 t -79.56 153.42 29.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 -103.37 -36.52 7.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.564 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 26.8 mp0 -57.57 -66.53 0.45 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.8 p -98.84 -42.45 7.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.48 15.07 7.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -75.71 125.23 28.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.774 0.321 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.6 m -100.85 153.34 19.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 7.2 m-85 -131.85 178.57 6.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 70.4 mt -88.75 -44.54 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -113.05 142.64 45.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.553 ' HB3' ' CE1' ' A' ' 13' ' ' HIS . 91.3 p -53.97 -31.27 50.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.04 -40.14 88.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.085 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 30.9 m170 -62.32 -43.28 99.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.861 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 tp -72.04 -56.92 4.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.934 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.6 mt -43.89 -31.79 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -80.31 -36.67 33.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.501 ' O ' ' N ' ' A' ' 33' ' ' ARG . 75.9 t60 -63.97 -56.93 11.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 31' ' ' HIS . 54.9 mt-30 -36.96 -28.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 31' ' ' HIS . 62.4 mtp180 -66.2 -46.49 77.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 31' ' ' HIS . 1.3 pp -57.74 -16.78 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.098 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.564 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 17.1 m-70 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.418 ' HD3' ' C ' ' A' ' 22' ' ' PHE . 42.0 mtt180 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.612 0.72 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -4.78 14.76 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.659 2.239 . . . . 0.0 112.303 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -137.3 123.92 21.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.5 tttt -137.4 130.36 30.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.9 t -59.63 118.86 6.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -91.91 21.39 4.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -111.48 -39.46 4.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.0 p -125.26 -40.58 2.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 132.83 -7.43 5.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.493 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.425 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -54.79 167.42 0.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.781 0.324 . . . . 0.0 110.922 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 m -144.98 149.87 35.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.418 ' C ' ' HD3' ' A' ' 11' ' ' ARG . 33.1 m-85 -140.56 164.4 30.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.6 mt -84.51 -54.48 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.133 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -97.3 141.82 29.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 83.5 p -53.34 -49.23 67.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.55 -44.11 12.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.094 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 46.0 m170 -56.36 -51.57 67.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 31' ' ' HIS . 63.6 tp -65.62 -54.99 20.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.1 mt -40.57 -33.04 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -81.82 -34.43 30.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.565 ' CE1' HD12 ' A' ' 34' ' ' ILE . 22.1 t60 -71.8 -48.16 48.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -48.17 -28.35 2.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 67.7 mtm180 -54.78 -39.89 68.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.565 HD12 ' CE1' ' A' ' 31' ' ' HIS . 4.4 pt -55.09 -18.88 3.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.156 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.843 179.907 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.597 0.713 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.57 ' HG2' ' CD2' ' A' ' 13' ' ' HIS . 53.6 Cg_endo -69.74 2.79 3.2 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.695 2.264 . . . . 0.0 112.36 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.57 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 28.5 m-70 -141.83 110.24 6.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.6 tttt -127.82 142.54 51.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.0 t -75.46 135.35 40.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 -97.71 20.99 11.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.508 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 27.0 mm-40 -118.89 -52.13 2.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.1 p -109.38 -43.5 4.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.1 15.57 4.66 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.464 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -80.17 131.71 35.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.811 0.338 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 72.7 p -106.11 149.72 26.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.836 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -133.15 167.31 20.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.6 mt -86.19 -44.89 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -106.82 138.42 43.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.561 ' HB3' ' CE1' ' A' ' 13' ' ' HIS . 98.4 p -51.38 -52.18 48.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -41.55 -43.66 2.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 54.6 m170 -57.87 -49.28 77.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 58.1 tp -68.99 -56.62 7.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 83.1 mt -41.85 -34.35 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -85.2 -43.89 13.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.566 ' CE1' HD13 ' A' ' 34' ' ' ILE . 13.0 t60 -55.96 -43.73 77.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.833 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -50.25 -19.59 0.84 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 56.2 mtp85 -65.38 -33.83 76.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.566 HD13 ' CE1' ' A' ' 31' ' ' HIS . 8.0 pt -55.4 -15.03 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.092 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.508 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 75.0 m-70 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 121.598 0.713 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.524 ' HG2' ' CD2' ' A' ' 13' ' ' HIS . 53.5 Cg_endo -69.78 2.2 3.76 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.687 2.258 . . . . 0.0 112.358 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.544 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 15.2 m-70 -150.7 127.42 10.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.5 tttt -138.73 138.36 37.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.5 t -70.72 124.83 25.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -87.57 22.01 2.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -119.14 -60.29 1.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -96.22 -41.88 8.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.73 14.37 6.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.5 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.4 mttm -75.06 174.16 9.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.754 0.312 . . . . 0.0 110.936 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.9 p -143.37 144.03 31.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.565 ' CE1' HD13 ' A' ' 28' ' ' LEU . 62.7 m-85 -127.34 169.1 13.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 33.3 mt -84.55 -40.55 15.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.153 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -116.55 150.41 38.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.955 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.544 ' HB3' ' CE1' ' A' ' 13' ' ' HIS . 67.5 p -61.98 -33.5 74.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.28 -44.41 92.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.09 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 41.1 m170 -61.08 -37.23 81.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.843 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.565 HD13 ' CE1' ' A' ' 22' ' ' PHE . 51.3 tp -73.34 -50.11 23.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 39.3 mt -52.26 -28.45 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.172 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -86.38 -19.54 29.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.942 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.506 ' O ' ' N ' ' A' ' 33' ' ' ARG . 56.6 t60 -85.5 -65.52 1.0 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 31' ' ' HIS . 82.7 mt-30 -34.95 -31.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 31' ' ' HIS . 42.8 mtt180 -53.01 -49.59 65.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.422 HG13 ' N ' ' A' ' 35' ' ' HIS . 4.3 pt -44.83 -21.91 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.099 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.422 ' N ' HG13 ' A' ' 34' ' ' ILE . 96.4 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.6 0.714 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 2.62 3.39 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.686 2.257 . . . . 0.0 112.348 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.471 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 78.4 m-70 -146.04 111.74 5.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.0 tttm -127.92 144.04 51.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.9 t -81.61 124.21 29.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -88.23 21.98 2.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -118.6 -53.76 2.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.9 p -105.15 -46.75 4.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.73 21.4 3.58 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.539 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.3 mttp -90.96 126.94 36.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.793 0.33 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 79.2 p -100.43 142.65 31.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.823 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -123.71 171.29 9.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.1 mp -89.72 -54.93 6.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -101.64 135.63 42.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.471 ' HB3' ' CE1' ' A' ' 13' ' ' HIS . 82.5 p -47.4 -44.38 24.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.04 -40.23 30.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.127 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 50.9 m170 -60.43 -51.66 68.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.9 tp -64.25 -52.02 60.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 73.5 mt -49.11 -31.0 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 55.5 mm-40 -86.24 -21.57 27.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.511 ' O ' ' N ' ' A' ' 33' ' ' ARG . 35.5 t60 -83.32 -62.2 1.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 31' ' ' HIS . 48.3 mt-30 -35.99 -29.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 31' ' ' HIS . 63.6 mtt-85 -54.76 -48.91 72.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.448 HG13 ' N ' ' A' ' 35' ' ' HIS . 4.2 pt -44.75 -22.76 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.174 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.448 ' N ' HG13 ' A' ' 34' ' ' ILE . 87.9 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.419 ' HD3' ' C ' ' A' ' 22' ' ' PHE . 95.6 mtt180 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.594 0.711 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.4 ' HG2' ' CD2' ' A' ' 13' ' ' HIS . 53.5 Cg_endo -69.75 2.83 3.18 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.651 2.234 . . . . 0.0 112.34 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.559 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 69.5 m-70 -145.15 124.26 12.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.859 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.6 tttt -139.47 140.5 37.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.7 t -80.22 159.66 25.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -108.91 -40.41 5.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.535 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 14.7 mm-40 -53.41 -55.58 23.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.8 p -109.37 -42.63 4.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.59 17.7 6.9 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.471 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.7 mttm -78.85 127.82 32.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.775 0.321 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.2 m -106.72 154.51 20.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.465 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 2.9 m-85 -135.82 173.98 11.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.3 mt -84.37 -56.21 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.147 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -99.01 140.52 33.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.559 ' HB3' ' CE1' ' A' ' 13' ' ' HIS . 74.1 p -52.43 -39.34 60.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.78 -40.53 66.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.117 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 37.5 m170 -61.65 -43.54 98.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 58.1 tp -71.96 -57.89 3.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 73.2 mt -40.57 -34.51 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -81.25 -39.72 24.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.514 ' O ' ' N ' ' A' ' 33' ' ' ARG . 15.9 t60 -61.23 -64.37 0.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 31' ' ' HIS . 57.2 mt-30 -35.79 -29.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.514 ' N ' ' O ' ' A' ' 31' ' ' HIS . 14.3 mmm180 -54.25 -49.07 70.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.461 HG13 ' N ' ' A' ' 35' ' ' HIS . 4.3 pt -44.7 -23.47 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.147 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.535 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 56.4 m-70 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.822 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 57.5 mtt-85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.656 0.741 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.436 ' HG2' ' CD2' ' A' ' 13' ' ' HIS . 53.8 Cg_endo -69.76 1.93 3.99 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.717 2.278 . . . . 0.0 112.348 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.436 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 56.7 m-70 -144.05 131.18 20.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -141.1 149.12 41.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 19' ' ' GLY . 24.5 t -101.22 84.33 2.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -45.06 -31.45 1.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -51.23 -63.53 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.8 p -107.53 -40.14 5.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 122.09 15.03 4.38 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.7 mmtt -79.05 137.11 37.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 89.0 p -116.89 155.67 28.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.496 ' CD1' HD11 ' A' ' 28' ' ' LEU . 30.4 m-85 -140.64 173.61 11.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.904 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.5 mp -90.09 -54.3 7.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -101.4 157.27 16.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 72.3 m -61.46 -50.85 71.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.67 -43.43 8.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.081 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 57.1 m170 -58.25 -49.21 77.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.496 HD11 ' CD1' ' A' ' 22' ' ' PHE . 66.4 tp -67.91 -56.57 8.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 56.8 mt -42.09 -33.76 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.418 ' NE2' ' HA ' ' A' ' 30' ' ' GLN . 7.5 mm-40 -79.51 -31.75 42.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.952 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.519 ' O ' ' N ' ' A' ' 33' ' ' ARG . 41.7 t60 -73.38 -60.86 2.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 31' ' ' HIS . 67.4 mt-30 -35.5 -30.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 31' ' ' HIS . 54.7 mtp180 -54.3 -49.25 70.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.561 HD11 ' CE1' ' A' ' 35' ' ' HIS . 4.3 pt -44.93 -21.45 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.1 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.561 ' CE1' HD11 ' A' ' 34' ' ' ILE . 75.9 m-70 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.613 0.721 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 1.81 4.09 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.711 2.274 . . . . 0.0 112.321 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -149.29 109.88 4.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.443 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 30.2 tttt -123.27 145.72 48.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.443 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 42.3 t -83.87 158.6 21.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -108.1 -33.25 7.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.942 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.459 ' HG3' ' CB ' ' A' ' 35' ' ' HIS . 44.7 mm-40 -59.13 -68.22 0.29 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -93.14 -42.29 9.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.96 17.73 7.2 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -86.61 141.13 29.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.812 0.339 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 m -114.94 162.2 17.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.508 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 11.6 m-85 -138.49 169.94 16.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 57.5 mt -75.02 -60.47 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.116 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -102.0 153.71 19.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.925 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 64.0 p -56.88 -49.03 76.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.84 -41.4 5.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 53.9 m170 -61.65 -43.27 99.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 31' ' ' HIS . 42.4 tp -73.11 -56.1 5.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.1 mt -40.99 -33.88 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.1 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 60.0 mm-40 -85.9 -31.1 22.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.508 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 10.9 t60 -71.17 -50.42 33.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -49.29 -19.64 0.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 51.8 mtt180 -64.91 -35.1 80.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.54 ' CD1' ' CE1' ' A' ' 35' ' ' HIS . 10.8 pt -52.39 -15.72 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.54 ' CE1' ' CD1' ' A' ' 34' ' ' ILE . 28.0 m-70 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.834 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.41 ' HD3' ' C ' ' A' ' 22' ' ' PHE . 53.4 mtt180 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.575 0.702 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.518 ' HG2' ' CD2' ' A' ' 13' ' ' HIS . 53.4 Cg_endo -69.81 2.1 3.86 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.619 2.213 . . . . 0.0 112.328 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.548 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 23.9 m-70 -138.73 118.14 12.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -136.9 141.27 42.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.5 t -79.04 153.28 30.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -99.89 -30.44 12.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.523 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 0.7 OUTLIER -64.61 -63.69 1.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.3 p -98.4 -48.49 5.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.63 16.66 4.97 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.45 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.6 mttm -73.13 133.56 44.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.75 0.309 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.8 p -102.83 150.15 23.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.826 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.41 ' C ' ' HD3' ' A' ' 11' ' ' ARG . 32.4 m-85 -134.94 161.35 35.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.3 mt -77.48 -43.04 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.42 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 92.3 mt-30 -112.34 143.67 43.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.548 ' HB3' ' CE1' ' A' ' 13' ' ' HIS . 72.2 p -56.31 -49.96 72.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.73 -47.16 7.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.112 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.42 ' CE1' ' HB2' ' A' ' 24' ' ' GLN . 29.9 m170 -56.85 -43.63 81.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.2 tp -68.75 -49.97 54.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 15.8 mt -56.12 -27.76 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -88.03 -14.31 39.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.477 ' O ' ' N ' ' A' ' 33' ' ' ARG . 24.2 t60 -87.97 -54.07 4.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -40.6 -24.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 31' ' ' HIS . 17.7 mtp85 -59.86 -44.8 93.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.813 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.465 HD12 ' CE1' ' A' ' 31' ' ' HIS . 8.7 pt -48.83 -18.47 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.523 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 84.8 m-70 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? . . . . . 0 C--O 1.231 0.09 0 CA-C-O 121.609 0.719 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.484 ' HG2' ' CD2' ' A' ' 13' ' ' HIS . 53.6 Cg_endo -69.75 -4.5 14.15 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.648 2.232 . . . . 0.0 112.363 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.556 ' CE1' ' HB2' ' A' ' 25' ' ' SER . 11.8 m-70 -122.49 131.99 54.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -141.79 145.28 34.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.4 t -85.1 161.34 19.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -107.71 -39.09 5.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.547 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 2.1 mp0 -58.18 -56.23 24.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -103.83 -45.84 4.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.03 20.92 6.53 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.445 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -81.85 139.59 34.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.821 0.343 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 87.8 p -106.95 143.53 34.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.833 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.458 ' CD1' HD12 ' A' ' 28' ' ' LEU . 67.7 m-85 -125.33 145.31 50.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.0 mp -56.39 -50.24 73.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.103 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.451 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 72.1 mt-30 -111.98 145.3 39.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.556 ' HB2' ' CE1' ' A' ' 13' ' ' HIS . 15.3 t -55.59 -53.56 54.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.817 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -38.82 -41.95 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.055 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.451 ' CE1' ' HB2' ' A' ' 24' ' ' GLN . 22.7 m170 -62.17 -41.33 98.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.458 HD12 ' CD1' ' A' ' 22' ' ' PHE . 59.7 tp -70.13 -55.65 8.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 78.1 mt -44.95 -32.8 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.115 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -84.83 -29.55 25.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.519 ' O ' ' N ' ' A' ' 33' ' ' ARG . 22.3 t60 -72.89 -57.85 3.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 31' ' ' HIS . 79.9 mt-30 -37.79 -26.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.952 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 31' ' ' HIS . 15.2 mtp-105 -57.92 -47.66 82.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.42 HG13 ' N ' ' A' ' 35' ' ' HIS . 4.2 pt -44.57 -21.43 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.547 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 91.6 m-70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.843 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.2 mtt180 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.621 0.724 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -0.46 6.96 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.617 2.211 . . . . 0.0 112.334 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.505 ' CE1' ' HB2' ' A' ' 25' ' ' SER . 42.4 m-70 -135.53 109.41 8.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.84 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -124.51 138.04 54.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.2 t -76.67 124.34 27.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -91.19 12.94 18.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -105.03 -40.1 6.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.1 p -126.66 -39.86 1.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.65 13.45 5.14 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.516 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -87.42 126.86 35.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.776 0.322 . . . . 0.0 110.935 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.484 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 4.2 m -109.56 162.44 14.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.484 ' CD1' ' C ' ' A' ' 21' ' ' SER . 2.8 m-85 -141.13 152.7 44.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 17.3 mt -59.61 -53.1 53.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -105.42 154.57 20.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.505 ' HB2' ' CE1' ' A' ' 13' ' ' HIS . 26.6 t -61.34 -53.65 53.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -39.34 -43.19 1.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.142 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 61.8 m170 -60.43 -38.93 85.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.824 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 25' ' ' SER . 59.3 tp -76.94 -55.64 5.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 90.1 mt -39.9 -33.76 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.103 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -80.57 -42.65 21.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.564 ' CE1' HD11 ' A' ' 34' ' ' ILE . 47.2 t60 -61.65 -55.04 34.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -38.71 -25.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.509 ' N ' ' O ' ' A' ' 31' ' ' HIS . 71.2 mtp180 -58.9 -46.65 87.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.564 HD11 ' CE1' ' A' ' 31' ' ' HIS . 3.8 pt -50.24 -17.32 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.506 ' CE1' HD12 ' A' ' 34' ' ' ILE . 82.8 m-70 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.9 mmm180 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 121.625 0.726 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 2.92 3.11 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.683 2.256 . . . . 0.0 112.323 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -150.18 108.11 3.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.447 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 27.5 tttt -122.42 144.67 48.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.447 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 48.5 t -83.42 162.65 20.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -113.12 -37.66 4.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.564 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 53.4 mm-40 -56.92 -57.68 11.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -105.03 -43.26 5.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.57 17.43 6.54 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.511 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -81.61 138.87 35.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.811 0.339 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.3 m -112.3 159.61 18.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -137.86 -179.91 6.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.5 mp -89.36 -49.52 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -107.22 166.35 10.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 85.3 p -74.3 -34.73 63.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.37 -36.41 77.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.092 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 45.0 m170 -63.21 -47.34 82.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.6 tp -71.07 -49.93 39.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 57.7 mt -48.15 -31.2 2.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -87.47 -20.4 26.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.526 ' O ' ' N ' ' A' ' 33' ' ' ARG . 25.0 t60 -82.43 -60.37 2.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 31' ' ' HIS . 83.9 mt-30 -37.14 -27.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 31' ' ' HIS . 42.2 mtp180 -56.92 -47.98 79.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.857 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.495 HD13 ' CE1' ' A' ' 35' ' ' HIS . 4.1 pt -45.06 -21.35 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.564 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 67.9 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.3 p -89.41 100.51 13.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.877 0.37 . . . . 0.0 110.908 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.9 p -67.42 119.08 11.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.32 132.15 6.53 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.505 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 t 68.7 42.06 1.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.886 0.374 . . . . 0.0 110.861 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.3 p -120.58 114.54 21.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.59 -140.57 6.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.491 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.0 t -104.8 135.6 45.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 0.0 111.12 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.86 99.94 1.72 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.477 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -128.2 168.84 14.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.856 0.36 . . . . 0.0 110.871 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -126.17 145.26 51.79 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.6 0.714 . . . . 0.0 110.881 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.429 ' HG2' ' CD2' ' A' ' 13' ' ' HIS . 53.5 Cg_endo -69.75 -3.41 11.96 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.706 2.27 . . . . 0.0 112.353 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.429 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 68.3 m-70 -128.81 131.18 47.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.46 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 0.6 OUTLIER -141.18 144.8 34.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.46 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 12.2 t -74.6 136.72 42.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.4 m-20 -92.37 -6.97 49.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.586 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 18.0 mm-40 -84.71 -53.24 5.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.0 p -108.54 -49.36 3.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 130.26 1.92 5.15 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.498 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.466 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 20.9 mtpp -59.52 176.11 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.762 0.315 . . . . 0.0 110.89 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.9 p -144.27 153.03 41.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.423 ' CE1' HD11 ' A' ' 28' ' ' LEU . 46.2 m-85 -141.35 151.14 43.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.7 mt -63.3 -51.1 75.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -106.83 153.63 22.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.8 p -62.45 -54.18 43.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.25 -33.9 0.69 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.097 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 58.5 m170 -66.3 -44.23 84.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.423 HD11 ' CE1' ' A' ' 22' ' ' PHE . 42.6 tp -73.21 -54.55 8.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 40.4 mt -43.39 -31.72 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.172 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -82.44 -39.07 23.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.934 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.549 ' CE1' HD12 ' A' ' 34' ' ' ILE . 17.2 t60 -62.47 -54.45 39.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -38.99 -26.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 31' ' ' HIS . 67.9 mtm180 -58.3 -46.98 85.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.549 HD12 ' CE1' ' A' ' 31' ' ' HIS . 9.9 pt -45.54 -24.01 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.586 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 93.3 m-70 -87.1 -46.71 9.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.9 t -106.5 111.56 24.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.186 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.87 -150.64 21.51 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -109.45 123.47 49.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.91 0.386 . . . . 0.0 110.872 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.54 80.31 72.12 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.616 0.722 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -3.57 12.31 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.697 2.265 . . . . 0.0 112.318 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.1 t -84.68 -40.83 16.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -41.66 147.95 0.41 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.452 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -28.01 25.79 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.666 2.244 . . . . 0.0 112.314 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.5 m -43.52 111.92 0.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.817 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.0 m -55.35 152.03 9.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.841 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.098 -0.835 . . . . 0.0 112.444 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 t 47.02 42.07 12.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.359 . . . . 0.0 110.859 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.8 p -73.82 129.56 38.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.29 -157.0 10.4 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 6' ' ' SER . 3.8 t -117.9 83.84 2.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.902 0.382 . . . . 0.0 110.898 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 5' ' ' SER . 3.7 t 36.78 41.58 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.814 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.26 -161.76 26.87 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.507 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.2 t -115.31 137.28 52.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.851 0.358 . . . . 0.0 111.129 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.01 137.96 10.03 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.516 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.434 ' OE1' ' C ' ' A' ' 10' ' ' GLU . 0.4 OUTLIER -100.77 160.8 14.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.79 0.329 . . . . 0.0 110.899 -179.812 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.467 ' HD2' ' N ' ' A' ' 11' ' ' ARG . 3.0 mpt_? -114.57 145.1 33.11 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.64 0.733 . . . . 0.0 110.843 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -3.9 12.94 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.648 2.232 . . . . 0.0 112.371 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -117.07 102.16 9.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -113.69 126.77 55.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.5 t -61.58 122.57 15.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -87.29 22.27 2.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.48 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 42.2 mm-40 -119.27 -38.72 2.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.845 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.2 p -129.28 -41.64 1.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 132.14 -21.97 4.3 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.475 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.1 mtpt -54.8 130.93 42.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.815 0.34 . . . . 0.0 110.859 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.0 p -112.41 164.44 13.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.422 ' CD1' HD12 ' A' ' 28' ' ' LEU . 18.8 m-85 -141.61 155.85 45.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.405 HD13 ' NH1' ' A' ' 11' ' ' ARG . 4.9 mp -71.54 -47.25 59.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -97.89 141.65 30.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.3 p -61.12 -34.92 75.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.78 -34.18 74.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.098 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 54.6 m170 -65.9 -40.27 91.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.422 HD12 ' CD1' ' A' ' 22' ' ' PHE . 61.9 tp -75.4 -58.28 3.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.7 mt -38.48 -35.41 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -81.35 -41.86 21.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.568 ' CE1' HD11 ' A' ' 34' ' ' ILE . 33.1 t60 -61.18 -52.87 63.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -46.02 -21.09 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.405 ' N ' ' C ' ' A' ' 31' ' ' HIS . 20.9 mmm180 -62.99 -40.95 99.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.568 HD11 ' CE1' ' A' ' 31' ' ' HIS . 7.0 pt -53.53 -16.99 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.48 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 74.2 m-70 -108.11 27.13 9.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -152.03 125.77 8.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 104.79 49.94 0.99 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.501 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.424 ' C ' ' HD3' ' A' ' 40' ' ' PRO . 51.0 mt-10 -127.81 78.37 1.82 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.909 0.385 . . . . 0.0 110.882 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.514 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 28.9 ttpt 39.2 50.19 2.7 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.561 0.696 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.6 Cg_endo -69.79 118.8 5.9 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.672 2.248 . . . . 0.0 112.306 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.3 t -118.59 154.91 31.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 51.49 -160.03 2.1 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.498 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 90.01 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.721 2.28 . . . . 0.0 112.371 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.1 t -54.93 -54.83 37.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.883 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.8 t -128.29 174.87 8.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.148 -0.807 . . . . 0.0 112.48 179.966 . . . . . . . . 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 -0.329 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 t -129.28 134.33 47.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.873 0.368 . . . . 0.0 110.868 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 t -91.9 -58.45 2.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.852 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.86 79.95 0.11 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 t -72.43 134.94 45.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.89 0.376 . . . . 0.0 110.836 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.9 p -59.92 108.05 0.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.837 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.25 142.29 4.3 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.508 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 t -76.93 140.05 40.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.835 0.35 . . . . 0.0 111.123 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 177.5 59.82 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.484 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -132.73 175.16 9.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.843 0.354 . . . . 0.0 110.878 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.444 ' HD2' ' N ' ' A' ' 11' ' ' ARG . 5.6 mpt_? -100.94 144.53 28.73 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.614 0.721 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.535 ' HG2' ' CD2' ' A' ' 13' ' ' HIS . 53.9 Cg_endo -69.75 -3.6 12.34 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.319 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.535 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 37.3 m-70 -127.18 110.82 13.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.879 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.7 tttt -123.74 135.98 54.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.9 t -64.78 131.05 45.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 60.0 m-20 -95.75 20.71 9.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.426 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 12.4 mm-40 -119.41 -38.9 2.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.1 p -125.23 -46.54 1.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 135.69 -24.74 3.3 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.487 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -50.99 132.43 27.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.833 0.349 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.469 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 78.2 p -110.84 163.06 14.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.469 ' CD1' ' C ' ' A' ' 21' ' ' SER . 4.6 m-85 -140.27 163.03 33.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.3 mt -79.55 -50.23 18.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.495 HE21 ' CE1' ' A' ' 27' ' ' HIS . 25.7 mt-30 -100.32 130.88 46.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 71.4 p -47.92 -46.7 32.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.81 -44.48 39.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.09 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.495 ' CE1' HE21 ' A' ' 24' ' ' GLN . 58.7 m170 -56.26 -49.36 74.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 31' ' ' HIS . 56.4 tp -67.33 -56.67 8.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.4 mt -39.96 -34.4 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -83.9 -33.17 24.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.52 ' CE1' ' CD1' ' A' ' 34' ' ' ILE . 17.0 t60 -69.5 -38.92 77.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -56.77 -14.21 3.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -74.05 -12.95 60.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.52 ' CD1' ' CE1' ' A' ' 31' ' ' HIS . 11.3 pt -73.53 -13.83 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.165 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.426 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 50.4 m-70 -112.17 -43.22 3.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.819 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.7 p -71.59 83.67 0.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.172 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -134.45 -131.99 3.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.529 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -48.43 116.21 1.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.923 0.392 . . . . 0.0 110.853 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -148.77 144.63 18.51 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.58 0.705 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -20.11 35.59 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.353 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.4 m -109.81 124.31 51.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 140.71 153.52 6.01 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.497 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -30.32 22.47 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.0 m -64.84 138.42 58.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 45.0 t -44.33 166.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.471 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.431 -0.267 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.3 p -121.51 122.91 40.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.361 . . . . 0.0 110.834 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.5 m -125.33 -55.1 1.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.62 -55.56 0.76 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.532 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -160.28 140.43 11.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.929 0.395 . . . . 0.0 110.866 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.8 t -156.58 109.89 2.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.847 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.79 162.13 9.29 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.525 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 66.9 p -84.52 46.47 1.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.813 0.34 . . . . 0.0 111.14 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.14 93.48 1.21 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.481 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -86.14 -23.7 26.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 0.0 110.889 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.9 mtt85 -144.08 144.01 24.69 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.621 0.725 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 2.63 3.34 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.696 2.264 . . . . 0.0 112.375 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.487 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 77.7 m-70 -137.66 131.69 31.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.8 ttpt -143.1 124.96 15.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.6 t -55.49 131.68 46.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 -91.14 21.9 4.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -117.35 -63.95 1.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.823 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.2 p -95.6 -38.97 10.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.04 13.26 7.2 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.466 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.534 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 25.6 mttm -72.92 173.25 9.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.777 0.322 . . . . 0.0 110.925 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 89.0 p -144.96 152.23 39.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -137.31 161.65 35.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 69.3 mt -68.91 -61.34 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -100.79 158.47 15.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.487 ' HB3' ' CE1' ' A' ' 13' ' ' HIS . 69.7 p -62.38 -44.67 95.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.92 -41.48 24.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.103 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 54.2 m170 -59.74 -50.41 73.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 31' ' ' HIS . 52.6 tp -64.26 -56.16 16.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 81.9 mt -42.48 -33.25 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.12 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -81.02 -32.26 34.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.958 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.554 ' CE1' HD13 ' A' ' 34' ' ' ILE . 12.4 t60 -72.85 -51.28 19.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -43.19 -22.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.429 ' HA ' ' CG2' ' A' ' 36' ' ' THR . 70.1 mtt-85 -61.41 -43.03 99.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.554 HD13 ' CE1' ' A' ' 31' ' ' HIS . 6.8 pt -53.84 -14.72 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -109.07 23.51 14.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.429 ' CG2' ' HA ' ' A' ' 33' ' ' ARG . 1.6 p -122.24 140.15 52.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.182 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 110.67 -47.55 1.03 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.469 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -113.49 77.72 1.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.935 0.397 . . . . 0.0 110.899 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.6 mttp -64.04 161.45 39.24 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.568 0.699 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 1.94 4.0 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.677 2.252 . . . . 0.0 112.367 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 t 74.47 54.09 0.09 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.99 146.2 0.73 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.472 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 2.2 3.77 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.31 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.4 m -117.69 82.93 1.91 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 92.4 p -121.81 151.41 40.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.179 -0.789 . . . . 0.0 112.508 -179.951 . . . . . . . . 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 1.452 -0.284 0 N-CA-C 112.456 -0.257 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.1 p -109.26 41.61 1.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.368 . . . . 0.0 110.883 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.1 p -76.9 128.07 33.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.842 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.31 -43.11 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.477 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 m -51.71 97.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.854 0.359 . . . . 0.0 110.865 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.2 p -50.8 151.18 2.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.93 -50.62 54.06 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.478 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.2 p -54.32 166.47 0.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.787 0.327 . . . . 0.0 111.143 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.48 64.79 1.37 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.457 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.418 ' C ' ' HD2' ' A' ' 11' ' ' ARG . 26.5 tt0 -96.35 160.65 14.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.854 0.359 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.418 ' HD2' ' C ' ' A' ' 10' ' ' GLU . 3.0 mpt_? -128.42 143.95 50.13 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.636 0.732 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -3.92 12.98 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.691 2.261 . . . . 0.0 112.323 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.409 ' CE1' ' OG ' ' A' ' 25' ' ' SER . 57.0 m-70 -122.06 115.73 23.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.3 tttt -129.82 136.96 50.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.9 t -73.93 128.18 34.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -91.7 22.77 3.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.475 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 6.3 mm-40 -118.28 -46.15 2.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.5 p -116.92 -43.81 2.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.71 20.32 3.2 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.495 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.3 mtpt -93.34 131.33 38.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.811 0.338 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.409 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 93.4 p -109.3 159.61 16.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.409 ' CD1' ' C ' ' A' ' 21' ' ' SER . 15.4 m-85 -141.15 157.28 45.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 54.1 mt -66.94 -57.6 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.125 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.401 ' OE1' ' CE1' ' A' ' 27' ' ' HIS . 55.3 mt-30 -98.14 152.94 18.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.409 ' OG ' ' CE1' ' A' ' 13' ' ' HIS . 12.9 m -62.28 -48.49 79.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.72 -41.9 11.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.088 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.401 ' CE1' ' OE1' ' A' ' 24' ' ' GLN . 38.0 m170 -60.92 -41.2 95.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 31' ' ' HIS . 49.0 tp -74.7 -56.45 4.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 63.4 mt -42.27 -32.19 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -84.0 -35.85 23.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.48 ' CE1' HD11 ' A' ' 34' ' ' ILE . 4.8 t60 -67.72 -44.52 77.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -51.26 -26.79 7.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.3 mtm180 -57.65 -28.87 64.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.557 HG13 ' CE1' ' A' ' 35' ' ' HIS . 8.5 pt -58.68 -16.55 8.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.159 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.557 ' CE1' HG13 ' A' ' 34' ' ' ILE . 39.4 m-70 -115.83 25.97 10.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.8 p -130.23 101.68 5.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 38' ' ' GLU . . . 156.75 -154.15 25.29 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.504 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.413 ' C ' ' HD3' ' A' ' 40' ' ' PRO . 11.5 mm-40 -37.14 155.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.881 0.372 . . . . 0.0 110.907 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.516 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 38.4 tttt 40.5 49.71 3.24 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.579 0.704 . . . . 0.0 110.898 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.8 Cg_endo -69.76 99.33 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.647 2.231 . . . . 0.0 112.318 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 62.7 p -63.42 129.3 39.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.07 153.99 20.13 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.527 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 121.19 7.88 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.659 2.239 . . . . 0.0 112.347 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.5 m -112.81 -46.63 3.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 45.2 t -65.23 136.52 56.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.446 179.989 . . . . . . . . 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 1.45 -0.391 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.4 p 38.51 42.28 0.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.899 0.381 . . . . 0.0 110.834 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.7 p -78.34 157.23 29.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.851 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.88 112.57 0.39 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.491 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.7 m -100.69 147.27 26.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.887 0.375 . . . . 0.0 110.871 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.0 p -85.11 175.29 9.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.73 -82.49 0.33 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.463 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.0 m -51.91 130.47 29.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.806 0.336 . . . . 0.0 111.159 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -84.97 -161.62 34.26 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.474 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -143.65 147.59 34.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.872 0.368 . . . . 0.0 110.877 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -126.31 145.69 53.58 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.616 0.722 . . . . 0.0 110.855 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.536 ' HG2' ' CD2' ' A' ' 13' ' ' HIS . 53.6 Cg_endo -69.76 -0.96 7.67 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.697 2.264 . . . . 0.0 112.339 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.552 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 33.4 m-70 -121.03 87.34 2.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.3 tttt -96.05 136.32 36.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.7 t -64.78 129.24 39.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -90.3 21.99 3.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.546 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 49.9 mm-40 -121.55 -43.65 2.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.2 p -122.46 -49.19 2.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 139.97 -18.23 2.95 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.515 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.6 mttp -57.05 129.67 42.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.801 0.334 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -106.77 162.7 13.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.412 ' CE1' HD12 ' A' ' 28' ' ' LEU . 16.2 m-85 -139.69 146.65 39.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 76.7 mt -59.04 -43.06 88.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.139 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -107.7 149.19 28.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.552 ' HB3' ' CE1' ' A' ' 13' ' ' HIS . 79.9 p -67.13 -34.5 77.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.25 -35.34 78.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.118 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 45.3 m170 -65.57 -32.56 74.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 31' ' ' HIS . 60.8 tp -80.38 -53.16 6.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.6 mt -44.49 -31.96 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -83.38 -28.35 29.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.559 ' CE1' HD11 ' A' ' 34' ' ' ILE . 50.2 t60 -77.44 -49.69 14.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.814 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -45.83 -21.2 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.406 ' N ' ' C ' ' A' ' 31' ' ' HIS . 16.6 mtt-85 -63.17 -39.94 96.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.559 HD11 ' CE1' ' A' ' 31' ' ' HIS . 7.4 pt -54.64 -16.49 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.137 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.546 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 87.6 m-70 -105.87 21.84 16.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -146.42 111.12 5.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -163.52 -126.19 0.8 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.446 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -74.11 128.46 35.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.925 0.393 . . . . 0.0 110.909 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.472 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 34.0 tttm -173.73 139.35 0.78 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.579 0.704 . . . . 0.0 110.955 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 53.9 Cg_endo -69.76 139.53 40.46 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.708 2.272 . . . . 0.0 112.359 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 40' ' ' PRO . 56.8 p 35.08 44.31 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -93.17 -94.55 1.48 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.489 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -178.31 2.3 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.695 2.264 . . . . 0.0 112.347 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 56.4 p -116.0 170.53 8.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.4 t -168.43 131.28 1.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 CA-C-O 119.166 -0.797 . . . . 0.0 112.517 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -133.95 104.89 6.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.845 0.355 . . . . 0.0 110.828 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.5 m -89.63 -53.41 4.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.901 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.3 127.18 2.42 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.488 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -139.61 144.99 37.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.837 0.351 . . . . 0.0 110.851 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.5 m -77.63 -47.66 18.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.24 -136.23 8.87 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.1 t -129.56 157.42 42.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.814 0.34 . . . . 0.0 111.131 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.41 124.19 2.96 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.465 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -99.77 117.69 34.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.797 0.332 . . . . 0.0 110.91 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -93.69 153.69 41.11 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.638 0.733 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -2.01 9.46 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.333 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -139.75 126.56 20.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -142.0 146.83 36.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.8 t -84.3 157.02 21.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -105.36 -32.03 8.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.461 ' HG3' ' CB ' ' A' ' 35' ' ' HIS . 44.5 mm-40 -61.92 -59.6 4.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.7 p -101.74 -47.6 4.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.14 24.02 4.01 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.517 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.5 mttp -82.49 136.09 34.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.783 0.325 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 24.7 p -104.73 144.11 32.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.418 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 74.1 m-85 -127.81 167.43 16.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.7 mp -88.93 -47.83 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.083 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -98.86 137.51 37.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.8 p -58.47 -20.98 49.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.19 -34.73 61.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.084 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 66.6 m170 -64.14 -34.13 77.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.7 tp -78.67 -53.32 7.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.1 mt -45.53 -29.71 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.1 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -91.8 -35.66 13.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.568 ' CE1' HD13 ' A' ' 34' ' ' ILE . 8.7 t60 -63.88 -45.96 87.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -52.94 -17.41 1.41 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -67.63 -28.95 68.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.568 HD13 ' CE1' ' A' ' 31' ' ' HIS . 9.1 pt -59.41 -13.15 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.461 ' CB ' ' HG3' ' A' ' 17' ' ' GLU . 44.6 m-70 -112.07 -48.47 3.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.803 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 35' ' ' HIS . 63.2 p -35.97 117.52 0.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.112 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 162.5 -128.16 1.83 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.509 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -136.35 133.37 36.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.919 0.39 . . . . 0.0 110.878 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -158.43 151.45 18.5 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.547 0.689 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -37.13 9.69 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.655 2.237 . . . . 0.0 112.343 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.3 p -174.3 132.11 0.38 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -110.78 161.13 12.94 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 80.43 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.701 2.268 . . . . 0.0 112.317 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 36.6 m -132.69 79.34 1.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.4 m -161.69 178.57 8.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.873 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.165 -0.797 . . . . 0.0 112.467 179.99 . . . . . . . . 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 1.452 -0.285 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.9 m -113.28 -53.64 2.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.907 0.384 . . . . 0.0 110.867 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.6 t -57.44 109.64 0.72 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.82 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.11 130.73 10.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.5 m -115.67 -50.77 2.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.856 0.36 . . . . 0.0 110.839 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.0 t -67.97 171.41 6.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.87 37.89 0.71 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.7 m -160.03 134.17 7.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 0.0 111.146 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -141.5 118.65 1.37 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.525 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -124.06 -20.2 5.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.827 0.346 . . . . 0.0 110.894 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.6 mtt180 -152.13 143.96 16.3 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.599 0.714 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -3.89 12.92 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.653 2.235 . . . . 0.0 112.395 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.507 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 87.6 m-70 -136.06 134.7 38.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.2 tttt -143.52 152.28 41.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.2 t -88.92 122.06 31.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.6 t30 -86.22 21.95 1.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.556 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 41.6 mm-40 -115.63 -56.25 2.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.3 p -113.17 -31.96 6.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.12 10.3 11.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.0 mmtt -70.57 134.91 48.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.8 0.333 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.5 p -115.26 151.47 34.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.425 ' CD2' ' HB3' ' A' ' 27' ' ' HIS . 22.6 m-85 -139.03 159.61 41.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 37.6 mt -75.05 -46.01 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -104.32 154.83 19.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.507 ' HB3' ' CE1' ' A' ' 13' ' ' HIS . 85.9 p -66.75 -44.38 81.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.27 -39.45 30.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.09 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.425 ' HB3' ' CD2' ' A' ' 22' ' ' PHE . 48.9 m170 -61.7 -45.07 95.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.1 tp -71.73 -56.51 5.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 26.4 mt -41.49 -32.21 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -84.48 -45.66 12.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.559 ' CE1' HD13 ' A' ' 34' ' ' ILE . 21.0 t60 -54.77 -49.8 70.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -43.86 -22.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 31' ' ' HIS . 81.6 mtp180 -61.4 -42.47 98.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.559 HD13 ' CE1' ' A' ' 31' ' ' HIS . 7.4 pt -53.68 -17.09 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.556 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 82.7 m-70 -108.4 -41.46 4.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.95 48.87 0.87 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.14 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.18 164.91 0.18 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.462 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -134.23 148.66 50.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.964 0.411 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.47 ' CD ' ' HD2' ' A' ' 40' ' ' PRO . 11.2 tppt? -88.69 135.99 31.61 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.548 0.69 . . . . 0.0 110.913 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.47 ' HD2' ' CD ' ' A' ' 39' ' ' LYS . 53.9 Cg_endo -69.76 141.08 44.29 Favored 'Trans proline' 0 C--O 1.23 0.122 0 C-N-CA 122.68 2.254 . . . . 0.0 112.314 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 82.4 p -158.86 120.23 3.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.54 168.2 14.91 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.507 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 90.89 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.337 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 36.3 p -45.08 141.12 2.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.865 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.7 p -52.52 171.56 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.098 -0.834 . . . . 0.0 112.491 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.1 p -165.03 158.25 16.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.36 . . . . 0.0 110.91 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.9 p -156.18 143.26 18.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.6 151.14 5.58 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.8 m -161.0 168.05 25.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.35 . . . . 0.0 110.896 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.1 p -116.6 133.66 55.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.96 171.26 0.14 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.521 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.0 t -86.08 -13.85 46.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.86 0.362 . . . . 0.0 111.13 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.07 61.99 0.38 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -78.47 141.24 38.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.845 0.355 . . . . 0.0 110.861 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 60.0 mmt-85 -44.29 153.72 0.43 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.579 0.704 . . . . 0.0 110.881 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 2.85 3.16 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.702 2.268 . . . . 0.0 112.35 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.553 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 56.6 m-70 -153.72 121.09 5.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -131.04 145.48 52.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.3 t -79.56 153.42 29.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 -103.37 -36.52 7.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.564 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 26.8 mp0 -57.57 -66.53 0.45 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.8 p -98.84 -42.45 7.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.48 15.07 7.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -75.71 125.23 28.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.774 0.321 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.6 m -100.85 153.34 19.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 7.2 m-85 -131.85 178.57 6.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 70.4 mt -88.75 -44.54 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -113.05 142.64 45.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.553 ' HB3' ' CE1' ' A' ' 13' ' ' HIS . 91.3 p -53.97 -31.27 50.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.04 -40.14 88.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.085 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 30.9 m170 -62.32 -43.28 99.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.861 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 tp -72.04 -56.92 4.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.934 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.6 mt -43.89 -31.79 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -80.31 -36.67 33.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.501 ' O ' ' N ' ' A' ' 33' ' ' ARG . 75.9 t60 -63.97 -56.93 11.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 31' ' ' HIS . 54.9 mt-30 -36.96 -28.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 31' ' ' HIS . 62.4 mtp180 -66.2 -46.49 77.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 31' ' ' HIS . 1.3 pp -57.74 -16.78 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.098 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.564 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 17.1 m-70 -82.78 -40.9 19.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.2 t -125.78 117.2 22.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -170.93 -36.93 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.526 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 39' ' ' LYS . 29.7 mp0 -83.45 37.6 0.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.91 0.386 . . . . 0.0 110.869 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.5 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 0.0 OUTLIER 37.65 51.1 2.23 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.563 0.697 . . . . 0.0 110.875 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.8 Cg_endo -69.79 1.21 4.66 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.714 2.276 . . . . 0.0 112.356 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.9 p -129.8 135.56 48.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -42.7 166.13 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.517 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 175.62 7.86 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.71 2.273 . . . . 0.0 112.363 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.1 t -81.96 146.54 29.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.1 m -92.2 138.78 31.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.844 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.104 -0.831 . . . . 0.0 112.505 -179.976 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.2 p -57.05 151.43 15.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.817 0.341 . . . . 0.0 110.888 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.7 p -100.15 151.05 21.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.53 -133.99 4.9 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.453 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m -164.53 119.97 1.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.913 0.387 . . . . 0.0 110.857 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 m -86.15 93.54 9.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.801 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.03 -126.46 7.1 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.459 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 73.2 p 48.22 35.77 5.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.842 0.353 . . . . 0.0 111.144 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 137.73 38.04 0.14 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -86.96 138.21 31.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.823 0.344 . . . . 0.0 110.937 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.418 ' HD3' ' C ' ' A' ' 22' ' ' PHE . 42.0 mtt180 -132.52 143.79 50.25 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.612 0.72 . . . . 0.0 110.86 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -4.78 14.76 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.659 2.239 . . . . 0.0 112.303 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -137.3 123.92 21.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.5 tttt -137.4 130.36 30.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.9 t -59.63 118.86 6.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -91.91 21.39 4.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -111.48 -39.46 4.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.0 p -125.26 -40.58 2.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 132.83 -7.43 5.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.493 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.425 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -54.79 167.42 0.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.781 0.324 . . . . 0.0 110.922 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 m -144.98 149.87 35.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.418 ' C ' ' HD3' ' A' ' 11' ' ' ARG . 33.1 m-85 -140.56 164.4 30.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.6 mt -84.51 -54.48 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.133 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -97.3 141.82 29.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 83.5 p -53.34 -49.23 67.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.55 -44.11 12.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.094 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 46.0 m170 -56.36 -51.57 67.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 31' ' ' HIS . 63.6 tp -65.62 -54.99 20.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.1 mt -40.57 -33.04 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -81.82 -34.43 30.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.565 ' CE1' HD12 ' A' ' 34' ' ' ILE . 22.1 t60 -71.8 -48.16 48.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -48.17 -28.35 2.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 67.7 mtm180 -54.78 -39.89 68.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.565 HD12 ' CE1' ' A' ' 31' ' ' HIS . 4.4 pt -55.09 -18.88 3.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.156 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 -109.4 -35.05 6.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.843 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.66 53.34 2.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -94.69 -74.35 1.24 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.463 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -90.46 138.11 31.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.925 0.393 . . . . 0.0 110.893 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -71.11 152.11 94.72 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.577 0.704 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.8 165.25 31.65 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.695 2.263 . . . . 0.0 112.293 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.2 p -93.51 146.65 23.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 177.65 -159.47 25.42 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.52 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 126.13 12.94 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.633 2.222 . . . . 0.0 112.324 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.7 m -86.9 -52.72 5.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.2 m -78.04 128.4 33.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.479 -179.997 . . . . . . . . 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 -0.366 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.2 m 44.11 42.47 4.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.915 0.388 . . . . 0.0 110.899 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.3 t -76.37 128.92 35.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.06 73.56 0.21 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.555 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.6 m -101.09 109.12 20.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.826 0.346 . . . . 0.0 110.887 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -94.2 99.77 11.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.69 123.47 0.72 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.487 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 85.2 m -127.79 -51.15 1.35 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.816 0.341 . . . . 0.0 111.097 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.31 149.75 21.58 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.493 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.73 147.32 24.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.821 0.343 . . . . 0.0 110.929 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -106.02 153.67 40.04 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.597 0.713 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.57 ' HG2' ' CD2' ' A' ' 13' ' ' HIS . 53.6 Cg_endo -69.74 2.79 3.2 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.695 2.264 . . . . 0.0 112.36 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.57 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 28.5 m-70 -141.83 110.24 6.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.6 tttt -127.82 142.54 51.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.0 t -75.46 135.35 40.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 -97.71 20.99 11.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.508 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 27.0 mm-40 -118.89 -52.13 2.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.1 p -109.38 -43.5 4.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.1 15.57 4.66 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.464 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -80.17 131.71 35.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.811 0.338 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 72.7 p -106.11 149.72 26.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.836 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -133.15 167.31 20.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.6 mt -86.19 -44.89 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -106.82 138.42 43.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.561 ' HB3' ' CE1' ' A' ' 13' ' ' HIS . 98.4 p -51.38 -52.18 48.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -41.55 -43.66 2.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 54.6 m170 -57.87 -49.28 77.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 58.1 tp -68.99 -56.62 7.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 83.1 mt -41.85 -34.35 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -85.2 -43.89 13.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.566 ' CE1' HD13 ' A' ' 34' ' ' ILE . 13.0 t60 -55.96 -43.73 77.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.833 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -50.25 -19.59 0.84 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 56.2 mtp85 -65.38 -33.83 76.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.566 HD13 ' CE1' ' A' ' 31' ' ' HIS . 8.0 pt -55.4 -15.03 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.092 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.508 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 75.0 m-70 -112.39 -39.39 4.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 73.6 p -41.79 -31.61 0.33 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.18 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -120.15 88.41 0.43 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.491 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -101.35 164.3 11.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.93 0.395 . . . . 0.0 110.844 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -71.61 133.21 84.85 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.574 0.702 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -32.71 18.03 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.714 2.276 . . . . 0.0 112.323 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.4 p -78.12 143.89 36.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 143.42 -72.59 0.37 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 172.66 12.25 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.651 2.234 . . . . 0.0 112.355 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.2 t 63.04 42.0 7.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 m -83.66 -51.37 7.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.844 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.183 -0.787 . . . . 0.0 112.505 -179.975 . . . . . . . . 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 -0.33 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.7 t -130.46 -43.95 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.826 0.346 . . . . 0.0 110.849 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.9 t -68.58 107.24 2.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.7 136.98 13.19 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.437 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 t -79.22 159.3 27.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.858 0.361 . . . . 0.0 110.88 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -108.52 -63.3 1.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 57.56 46.69 91.76 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.456 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.9 m -97.78 141.97 30.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.884 0.373 . . . . 0.0 111.135 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.28 139.01 14.99 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.524 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -81.22 89.77 6.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.884 0.373 . . . . 0.0 110.952 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -137.4 156.13 75.25 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.598 0.713 . . . . 0.0 110.876 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.524 ' HG2' ' CD2' ' A' ' 13' ' ' HIS . 53.5 Cg_endo -69.78 2.2 3.76 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.687 2.258 . . . . 0.0 112.358 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.544 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 15.2 m-70 -150.7 127.42 10.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.5 tttt -138.73 138.36 37.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.5 t -70.72 124.83 25.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -87.57 22.01 2.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -119.14 -60.29 1.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -96.22 -41.88 8.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.73 14.37 6.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.5 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.4 mttm -75.06 174.16 9.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.754 0.312 . . . . 0.0 110.936 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.9 p -143.37 144.03 31.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.565 ' CE1' HD13 ' A' ' 28' ' ' LEU . 62.7 m-85 -127.34 169.1 13.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 33.3 mt -84.55 -40.55 15.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.153 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -116.55 150.41 38.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.955 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.544 ' HB3' ' CE1' ' A' ' 13' ' ' HIS . 67.5 p -61.98 -33.5 74.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.28 -44.41 92.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.09 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 41.1 m170 -61.08 -37.23 81.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.843 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.565 HD13 ' CE1' ' A' ' 22' ' ' PHE . 51.3 tp -73.34 -50.11 23.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 39.3 mt -52.26 -28.45 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.172 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -86.38 -19.54 29.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.942 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.506 ' O ' ' N ' ' A' ' 33' ' ' ARG . 56.6 t60 -85.5 -65.52 1.0 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 31' ' ' HIS . 82.7 mt-30 -34.95 -31.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 31' ' ' HIS . 42.8 mtt180 -53.01 -49.59 65.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.422 HG13 ' N ' ' A' ' 35' ' ' HIS . 4.3 pt -44.83 -21.91 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.099 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.422 ' N ' HG13 ' A' ' 34' ' ' ILE . 96.4 m-70 -91.82 -58.19 2.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.3 t -87.63 42.61 1.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -82.89 -93.14 0.6 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.513 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -52.21 156.2 1.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.92 0.39 . . . . 0.0 110.873 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.61 80.83 1.0 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.572 0.701 . . . . 0.0 110.902 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 112.79 3.18 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.702 2.268 . . . . 0.0 112.363 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.5 m -142.45 136.41 29.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -147.12 -90.62 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.487 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -16.4 37.5 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.646 2.23 . . . . 0.0 112.353 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.4 t -106.98 115.22 29.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.5 m -108.01 -55.59 2.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.847 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.493 179.99 . . . . . . . . 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 1.451 -0.315 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.5 p -87.75 42.44 1.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 0.0 110.813 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.9 p -171.66 126.65 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.812 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.67 87.43 1.06 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.485 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.3 p -134.62 102.82 5.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.825 0.345 . . . . 0.0 110.879 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.9 p -170.28 149.52 3.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.49 97.19 0.11 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.486 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.6 m -71.35 92.55 1.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.834 0.349 . . . . 0.0 111.12 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 160.08 72.47 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.457 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -105.87 126.83 52.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.882 0.372 . . . . 0.0 110.853 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -65.45 152.41 92.32 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.6 0.714 . . . . 0.0 110.876 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 2.62 3.39 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.686 2.257 . . . . 0.0 112.348 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.471 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 78.4 m-70 -146.04 111.74 5.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.0 tttm -127.92 144.04 51.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.9 t -81.61 124.21 29.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -88.23 21.98 2.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -118.6 -53.76 2.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.9 p -105.15 -46.75 4.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.73 21.4 3.58 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.539 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.3 mttp -90.96 126.94 36.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.793 0.33 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 79.2 p -100.43 142.65 31.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.823 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -123.71 171.29 9.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.1 mp -89.72 -54.93 6.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -101.64 135.63 42.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.471 ' HB3' ' CE1' ' A' ' 13' ' ' HIS . 82.5 p -47.4 -44.38 24.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.04 -40.23 30.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.127 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 50.9 m170 -60.43 -51.66 68.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.9 tp -64.25 -52.02 60.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 73.5 mt -49.11 -31.0 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 55.5 mm-40 -86.24 -21.57 27.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.511 ' O ' ' N ' ' A' ' 33' ' ' ARG . 35.5 t60 -83.32 -62.2 1.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 31' ' ' HIS . 48.3 mt-30 -35.99 -29.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 31' ' ' HIS . 63.6 mtt-85 -54.76 -48.91 72.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.448 HG13 ' N ' ' A' ' 35' ' ' HIS . 4.2 pt -44.75 -22.76 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.174 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.448 ' N ' HG13 ' A' ' 34' ' ' ILE . 87.9 m-70 -87.71 -74.97 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.1 t -43.93 -39.89 4.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 41.91 -165.03 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.553 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -107.19 106.25 16.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.925 0.393 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.2 mttp -106.0 156.88 35.98 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.608 0.718 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -15.9 37.32 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.726 2.284 . . . . 0.0 112.312 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.1 m -44.75 162.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.854 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -114.04 65.1 0.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.545 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -178.96 2.6 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.717 2.278 . . . . 0.0 112.328 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 79.4 p -89.53 29.16 1.16 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 94.5 p -82.62 -46.88 12.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.844 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.466 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.6 p -138.89 172.78 12.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.906 0.384 . . . . 0.0 110.862 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.4 p -154.62 169.63 23.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 151.63 -119.36 0.98 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 4' ' ' GLY . 58.4 p 35.27 40.71 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.853 0.359 . . . . 0.0 110.887 -179.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.4 p -125.24 154.41 41.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.39 53.19 0.13 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.0 t -154.95 142.66 19.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.881 0.372 . . . . 0.0 111.108 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 154.05 60.34 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.25 133.48 40.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 0.0 110.863 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.419 ' HD3' ' C ' ' A' ' 22' ' ' PHE . 95.6 mtt180 -124.53 147.21 54.85 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.594 0.711 . . . . 0.0 110.861 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.4 ' HG2' ' CD2' ' A' ' 13' ' ' HIS . 53.5 Cg_endo -69.75 2.83 3.18 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.651 2.234 . . . . 0.0 112.34 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.559 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 69.5 m-70 -145.15 124.26 12.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.859 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.6 tttt -139.47 140.5 37.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.7 t -80.22 159.66 25.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -108.91 -40.41 5.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.535 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 14.7 mm-40 -53.41 -55.58 23.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.8 p -109.37 -42.63 4.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.59 17.7 6.9 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.471 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.7 mttm -78.85 127.82 32.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.775 0.321 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.2 m -106.72 154.51 20.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.465 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 2.9 m-85 -135.82 173.98 11.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.3 mt -84.37 -56.21 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.147 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -99.01 140.52 33.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.559 ' HB3' ' CE1' ' A' ' 13' ' ' HIS . 74.1 p -52.43 -39.34 60.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.78 -40.53 66.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.117 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 37.5 m170 -61.65 -43.54 98.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 58.1 tp -71.96 -57.89 3.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 73.2 mt -40.57 -34.51 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -81.25 -39.72 24.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.514 ' O ' ' N ' ' A' ' 33' ' ' ARG . 15.9 t60 -61.23 -64.37 0.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 31' ' ' HIS . 57.2 mt-30 -35.79 -29.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.514 ' N ' ' O ' ' A' ' 31' ' ' HIS . 14.3 mmm180 -54.25 -49.07 70.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.461 HG13 ' N ' ' A' ' 35' ' ' HIS . 4.3 pt -44.7 -23.47 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.147 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.535 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 56.4 m-70 -82.02 -64.14 1.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.822 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 33' ' ' ARG . 15.1 t -80.83 168.33 18.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 116.82 -142.84 17.76 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.413 ' C ' ' HD3' ' A' ' 40' ' ' PRO . 13.2 pt-20 -96.76 150.27 20.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.905 0.383 . . . . 0.0 110.869 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.536 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 14.8 ttpp 43.0 48.28 3.63 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.597 0.713 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 54.0 Cg_endo -69.75 133.42 25.54 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.685 2.257 . . . . 0.0 112.323 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.5 t -64.66 159.01 22.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.823 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.76 -176.45 46.98 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -21.87 33.02 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.677 2.251 . . . . 0.0 112.359 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 71.5 p -116.9 92.43 3.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.6 m -81.11 45.14 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.175 -0.792 . . . . 0.0 112.501 -179.971 . . . . . . . . 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 1.45 -0.377 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -102.2 137.17 40.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.898 0.38 . . . . 0.0 110.87 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.8 p -62.18 168.45 3.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.83 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.7 41.75 2.1 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.443 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.2 t -75.61 -51.75 12.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.917 0.389 . . . . 0.0 110.882 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.0 p -50.87 174.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.28 57.85 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.51 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 70.9 p -104.54 42.85 1.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.882 0.372 . . . . 0.0 111.211 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.83 161.0 28.72 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -110.35 144.66 38.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.887 0.375 . . . . 0.0 110.837 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 57.5 mtt-85 -88.46 154.85 51.37 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.656 0.741 . . . . 0.0 110.849 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.436 ' HG2' ' CD2' ' A' ' 13' ' ' HIS . 53.8 Cg_endo -69.76 1.93 3.99 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.717 2.278 . . . . 0.0 112.348 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.436 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 56.7 m-70 -144.05 131.18 20.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -141.1 149.12 41.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 19' ' ' GLY . 24.5 t -101.22 84.33 2.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -45.06 -31.45 1.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -51.23 -63.53 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.8 p -107.53 -40.14 5.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 122.09 15.03 4.38 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.7 mmtt -79.05 137.11 37.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 89.0 p -116.89 155.67 28.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.496 ' CD1' HD11 ' A' ' 28' ' ' LEU . 30.4 m-85 -140.64 173.61 11.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.904 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.5 mp -90.09 -54.3 7.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -101.4 157.27 16.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 72.3 m -61.46 -50.85 71.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.67 -43.43 8.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.081 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 57.1 m170 -58.25 -49.21 77.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.496 HD11 ' CD1' ' A' ' 22' ' ' PHE . 66.4 tp -67.91 -56.57 8.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 56.8 mt -42.09 -33.76 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.418 ' NE2' ' HA ' ' A' ' 30' ' ' GLN . 7.5 mm-40 -79.51 -31.75 42.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.952 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.519 ' O ' ' N ' ' A' ' 33' ' ' ARG . 41.7 t60 -73.38 -60.86 2.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 31' ' ' HIS . 67.4 mt-30 -35.5 -30.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 31' ' ' HIS . 54.7 mtp180 -54.3 -49.25 70.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.561 HD11 ' CE1' ' A' ' 35' ' ' HIS . 4.3 pt -44.93 -21.45 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.1 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.561 ' CE1' HD11 ' A' ' 34' ' ' ILE . 75.9 m-70 -106.56 -40.93 5.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.54 60.3 4.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.53 91.54 0.93 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.46 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.419 ' C ' ' HD3' ' A' ' 40' ' ' PRO . 7.7 tt0 -126.52 36.48 4.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.914 0.388 . . . . 0.0 110.876 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.566 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 0.6 OUTLIER 44.98 47.32 3.66 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.564 0.697 . . . . 0.0 110.875 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.566 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.8 Cg_endo -69.73 -174.24 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.702 2.268 . . . . 0.0 112.37 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.4 p -114.44 75.42 0.93 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.17 80.35 1.04 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.471 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.67 -17.38 38.0 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.707 2.271 . . . . 0.0 112.329 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.3 m -84.91 87.09 7.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.821 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.8 t -87.72 -45.15 10.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.907 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.107 -0.829 . . . . 0.0 112.519 -179.982 . . . . . . . . 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 -0.317 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.3 p -171.15 169.18 6.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.845 0.355 . . . . 0.0 110.872 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.4 p -174.48 121.03 0.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.815 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.3 148.92 8.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.525 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.4 p -117.91 167.52 11.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.874 0.369 . . . . 0.0 110.874 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.2 p -125.47 112.39 16.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.62 163.03 30.08 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.464 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.2 p -49.27 123.96 8.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.837 0.351 . . . . 0.0 111.114 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 164.32 97.33 0.12 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.474 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -141.21 148.6 40.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.836 0.351 . . . . 0.0 110.867 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -54.25 153.61 9.36 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.613 0.721 . . . . 0.0 110.863 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 1.81 4.09 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.711 2.274 . . . . 0.0 112.321 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -149.29 109.88 4.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.443 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 30.2 tttt -123.27 145.72 48.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.443 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 42.3 t -83.87 158.6 21.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -108.1 -33.25 7.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.942 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.459 ' HG3' ' CB ' ' A' ' 35' ' ' HIS . 44.7 mm-40 -59.13 -68.22 0.29 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -93.14 -42.29 9.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.96 17.73 7.2 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -86.61 141.13 29.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.812 0.339 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 m -114.94 162.2 17.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.508 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 11.6 m-85 -138.49 169.94 16.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 57.5 mt -75.02 -60.47 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.116 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -102.0 153.71 19.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.925 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 64.0 p -56.88 -49.03 76.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.84 -41.4 5.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 53.9 m170 -61.65 -43.27 99.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 31' ' ' HIS . 42.4 tp -73.11 -56.1 5.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.1 mt -40.99 -33.88 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.1 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 60.0 mm-40 -85.9 -31.1 22.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.508 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 10.9 t60 -71.17 -50.42 33.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -49.29 -19.64 0.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 51.8 mtt180 -64.91 -35.1 80.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.54 ' CD1' ' CE1' ' A' ' 35' ' ' HIS . 10.8 pt -52.39 -15.72 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.54 ' CE1' ' CD1' ' A' ' 34' ' ' ILE . 28.0 m-70 -111.35 -34.71 6.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.834 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 38.8 p -54.95 154.39 5.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.154 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.8 -89.34 1.6 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.447 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -58.82 134.3 56.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.932 0.396 . . . . 0.0 110.894 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.5 tttp -114.88 130.4 24.21 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.578 0.704 . . . . 0.0 110.928 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 154.88 67.52 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.716 2.277 . . . . 0.0 112.367 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.7 p -95.1 159.44 15.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 169.77 -95.03 0.11 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.466 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -177.09 1.7 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.657 2.238 . . . . 0.0 112.331 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 t -89.47 -58.96 2.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 t -167.14 172.55 9.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.45 -179.971 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.3 m -141.0 165.25 28.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.913 0.387 . . . . 0.0 110.856 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.6 m -135.51 166.27 23.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.889 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.31 125.03 6.34 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.463 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.6 p -128.8 132.72 47.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 110.869 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.1 m -119.73 134.83 55.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.799 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.63 102.18 1.27 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.513 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.2 p -126.87 6.66 6.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.859 0.361 . . . . 0.0 111.154 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.89 -168.76 39.67 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.532 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -120.37 95.28 4.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.845 0.355 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.41 ' HD3' ' C ' ' A' ' 22' ' ' PHE . 53.4 mtt180 -52.81 158.54 2.17 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.575 0.702 . . . . 0.0 110.865 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.518 ' HG2' ' CD2' ' A' ' 13' ' ' HIS . 53.4 Cg_endo -69.81 2.1 3.86 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.619 2.213 . . . . 0.0 112.328 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.548 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 23.9 m-70 -138.73 118.14 12.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -136.9 141.27 42.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.5 t -79.04 153.28 30.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -99.89 -30.44 12.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.523 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 0.7 OUTLIER -64.61 -63.69 1.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.3 p -98.4 -48.49 5.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.63 16.66 4.97 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.45 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.6 mttm -73.13 133.56 44.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.75 0.309 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.8 p -102.83 150.15 23.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.826 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.41 ' C ' ' HD3' ' A' ' 11' ' ' ARG . 32.4 m-85 -134.94 161.35 35.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.3 mt -77.48 -43.04 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.42 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 92.3 mt-30 -112.34 143.67 43.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.548 ' HB3' ' CE1' ' A' ' 13' ' ' HIS . 72.2 p -56.31 -49.96 72.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.73 -47.16 7.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.112 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.42 ' CE1' ' HB2' ' A' ' 24' ' ' GLN . 29.9 m170 -56.85 -43.63 81.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.2 tp -68.75 -49.97 54.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 15.8 mt -56.12 -27.76 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -88.03 -14.31 39.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.477 ' O ' ' N ' ' A' ' 33' ' ' ARG . 24.2 t60 -87.97 -54.07 4.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -40.6 -24.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 31' ' ' HIS . 17.7 mtp85 -59.86 -44.8 93.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.813 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.465 HD12 ' CE1' ' A' ' 31' ' ' HIS . 8.7 pt -48.83 -18.47 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.523 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 84.8 m-70 -91.37 -68.01 0.82 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.0 t -63.46 124.58 21.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 38' ' ' GLU . . . -140.78 164.31 26.41 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.427 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 37' ' ' GLY . 16.3 mt-10 -37.17 118.54 0.62 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.973 0.416 . . . . 0.0 110.888 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.65 141.17 65.44 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.617 0.722 . . . . 0.0 110.856 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -50.77 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.72 2.28 . . . . 0.0 112.349 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.5 t -99.87 90.98 4.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 169.06 85.49 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.487 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 98.56 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.676 2.251 . . . . 0.0 112.392 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.6 m -50.4 122.28 6.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 t 45.29 44.24 8.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.073 -0.848 . . . . 0.0 112.509 -179.983 . . . . . . . . 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 1.452 -0.298 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -168.54 119.8 0.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.903 0.382 . . . . 0.0 110.86 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.1 p -65.16 152.54 43.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.83 51.98 0.68 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.461 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -107.21 97.7 7.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 0.0 110.872 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.2 t -154.74 139.22 16.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.66 107.72 0.31 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.495 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.0 m -39.43 -61.5 0.79 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.789 0.328 . . . . 0.0 111.17 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.27 90.07 2.1 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.476 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -127.48 158.38 37.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.808 0.337 . . . . 0.0 110.89 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -115.77 146.67 37.34 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.609 0.719 . . . . 0.0 110.843 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.484 ' HG2' ' CD2' ' A' ' 13' ' ' HIS . 53.6 Cg_endo -69.75 -4.5 14.15 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.648 2.232 . . . . 0.0 112.363 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.556 ' CE1' ' HB2' ' A' ' 25' ' ' SER . 11.8 m-70 -122.49 131.99 54.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -141.79 145.28 34.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.4 t -85.1 161.34 19.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -107.71 -39.09 5.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.547 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 2.1 mp0 -58.18 -56.23 24.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -103.83 -45.84 4.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.03 20.92 6.53 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.445 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -81.85 139.59 34.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.821 0.343 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 87.8 p -106.95 143.53 34.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.833 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.458 ' CD1' HD12 ' A' ' 28' ' ' LEU . 67.7 m-85 -125.33 145.31 50.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.0 mp -56.39 -50.24 73.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.103 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.451 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 72.1 mt-30 -111.98 145.3 39.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.556 ' HB2' ' CE1' ' A' ' 13' ' ' HIS . 15.3 t -55.59 -53.56 54.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.817 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -38.82 -41.95 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.055 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.451 ' CE1' ' HB2' ' A' ' 24' ' ' GLN . 22.7 m170 -62.17 -41.33 98.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.458 HD12 ' CD1' ' A' ' 22' ' ' PHE . 59.7 tp -70.13 -55.65 8.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 78.1 mt -44.95 -32.8 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.115 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -84.83 -29.55 25.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.519 ' O ' ' N ' ' A' ' 33' ' ' ARG . 22.3 t60 -72.89 -57.85 3.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 31' ' ' HIS . 79.9 mt-30 -37.79 -26.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.952 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 31' ' ' HIS . 15.2 mtp-105 -57.92 -47.66 82.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.42 HG13 ' N ' ' A' ' 35' ' ' HIS . 4.2 pt -44.57 -21.43 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.547 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 91.6 m-70 -88.68 -58.34 2.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.843 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.472 ' CG2' ' O ' ' A' ' 36' ' ' THR . 9.0 t -84.95 85.4 7.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.122 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -167.73 -87.68 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.433 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -83.06 111.07 18.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.941 0.401 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -135.8 143.94 46.68 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.572 0.701 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -20.22 35.09 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.664 2.242 . . . . 0.0 112.38 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.2 m 40.81 41.57 1.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 63.98 175.78 3.98 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.453 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -178.29 2.28 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.71 2.273 . . . . 0.0 112.317 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 m -127.33 41.91 3.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.8 m -113.05 81.32 1.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.451 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.9 t -159.4 112.67 2.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.864 0.364 . . . . 0.0 110.872 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -174.85 133.36 0.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.822 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.94 78.47 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.447 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.2 t -173.63 112.57 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 110.84 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.2 m -78.07 -49.23 14.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.845 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.73 124.11 2.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.7 p -77.6 122.25 25.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.815 0.341 . . . . 0.0 111.162 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.32 -47.21 72.88 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.467 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 70.72 38.36 1.25 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.808 0.337 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.2 mtt180 -145.27 143.82 21.45 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.621 0.724 . . . . 0.0 110.841 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -0.46 6.96 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.617 2.211 . . . . 0.0 112.334 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.505 ' CE1' ' HB2' ' A' ' 25' ' ' SER . 42.4 m-70 -135.53 109.41 8.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.84 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -124.51 138.04 54.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.2 t -76.67 124.34 27.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -91.19 12.94 18.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -105.03 -40.1 6.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.1 p -126.66 -39.86 1.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.65 13.45 5.14 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.516 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -87.42 126.86 35.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.776 0.322 . . . . 0.0 110.935 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.484 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 4.2 m -109.56 162.44 14.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.484 ' CD1' ' C ' ' A' ' 21' ' ' SER . 2.8 m-85 -141.13 152.7 44.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 17.3 mt -59.61 -53.1 53.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -105.42 154.57 20.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.505 ' HB2' ' CE1' ' A' ' 13' ' ' HIS . 26.6 t -61.34 -53.65 53.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -39.34 -43.19 1.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.142 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 61.8 m170 -60.43 -38.93 85.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.824 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 25' ' ' SER . 59.3 tp -76.94 -55.64 5.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 90.1 mt -39.9 -33.76 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.103 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -80.57 -42.65 21.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.564 ' CE1' HD11 ' A' ' 34' ' ' ILE . 47.2 t60 -61.65 -55.04 34.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -38.71 -25.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.509 ' N ' ' O ' ' A' ' 31' ' ' HIS . 71.2 mtp180 -58.9 -46.65 87.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.564 HD11 ' CE1' ' A' ' 31' ' ' HIS . 3.8 pt -50.24 -17.32 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.506 ' CE1' HD12 ' A' ' 34' ' ' ILE . 82.8 m-70 -110.97 -35.72 5.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.4 p -91.23 130.03 37.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 128.12 124.22 2.66 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.482 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 72.91 35.73 0.96 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.948 0.404 . . . . 0.0 110.923 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -117.22 143.58 32.12 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.608 0.718 . . . . 0.0 110.924 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -7.95 22.37 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.683 2.255 . . . . 0.0 112.356 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.1 t -116.56 151.26 36.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 61.74 143.39 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.444 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 139.61 40.5 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.673 2.249 . . . . 0.0 112.312 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.8 t -51.63 -44.8 63.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 34.9 t -73.81 131.31 41.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.848 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.516 -179.996 . . . . . . . . 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 1.452 -0.284 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t 43.65 42.27 4.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.853 0.358 . . . . 0.0 110.81 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.8 p -60.4 108.46 0.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.36 41.22 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.532 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.9 m -87.37 172.77 9.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.88 0.372 . . . . 0.0 110.853 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.7 m -97.82 87.36 4.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.825 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.29 114.36 0.72 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.509 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.1 m -126.27 116.15 20.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.846 0.355 . . . . 0.0 111.158 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -150.99 112.55 0.54 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.515 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -63.72 113.19 3.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.893 0.378 . . . . 0.0 110.85 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.9 mmm180 -79.76 153.41 75.53 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.625 0.726 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 2.92 3.11 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.683 2.256 . . . . 0.0 112.323 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -150.18 108.11 3.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.447 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 27.5 tttt -122.42 144.67 48.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.447 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 48.5 t -83.42 162.65 20.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -113.12 -37.66 4.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.564 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 53.4 mm-40 -56.92 -57.68 11.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -105.03 -43.26 5.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.57 17.43 6.54 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.511 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -81.61 138.87 35.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.811 0.339 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.3 m -112.3 159.61 18.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -137.86 -179.91 6.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.5 mp -89.36 -49.52 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -107.22 166.35 10.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 85.3 p -74.3 -34.73 63.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.37 -36.41 77.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.092 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 45.0 m170 -63.21 -47.34 82.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.6 tp -71.07 -49.93 39.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 57.7 mt -48.15 -31.2 2.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -87.47 -20.4 26.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.526 ' O ' ' N ' ' A' ' 33' ' ' ARG . 25.0 t60 -82.43 -60.37 2.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 31' ' ' HIS . 83.9 mt-30 -37.14 -27.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 31' ' ' HIS . 42.2 mtp180 -56.92 -47.98 79.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.857 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.495 HD13 ' CE1' ' A' ' 35' ' ' HIS . 4.1 pt -45.06 -21.35 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.564 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 67.9 m-70 -93.54 -42.19 9.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.4 t -125.47 121.0 32.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.136 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 156.97 -53.86 0.4 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.416 ' C ' ' HD3' ' A' ' 40' ' ' PRO . 12.5 mt-10 -109.09 132.32 54.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.942 0.401 . . . . 0.0 110.903 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.58 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 15.6 mmmt 47.43 46.1 3.26 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.605 0.716 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.6 Cg_endo -69.81 141.03 43.93 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.66 2.24 . . . . 0.0 112.339 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.1 t -66.63 152.69 44.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -142.9 -98.16 0.28 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.537 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -14.49 36.28 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.682 2.254 . . . . 0.0 112.345 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 79.7 p -71.5 87.12 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.807 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.3 t -170.8 123.9 0.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 CA-C-O 119.18 -0.789 . . . . 0.0 112.48 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.6 0.714 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -3.41 11.96 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.706 2.27 . . . . 0.0 112.353 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -128.81 131.18 47.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.47 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 0.6 OUTLIER -141.18 144.8 34.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.47 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 12.2 t -74.6 136.72 42.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.4 m-20 -92.37 -6.97 49.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.586 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 18.0 mm-40 -84.71 -53.24 5.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.0 p -108.54 -49.36 3.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 130.26 1.92 5.15 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.498 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.48 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 20.9 mtpp -59.52 176.11 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.762 0.315 . . . . 0.0 110.89 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.9 p -144.27 153.03 41.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -141.35 151.14 43.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.7 mt -63.3 -51.1 75.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -106.83 153.63 22.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.8 p -62.45 -54.18 43.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.25 -33.9 0.69 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.097 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 58.5 m170 -66.3 -44.23 84.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.454 HD11 ' HA ' ' A' ' 15' ' ' CYS . 42.6 tp -73.21 -54.55 8.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 40.4 mt -43.39 -31.72 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.172 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -82.44 -39.07 23.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.934 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.488 ' CE1' HD11 ' A' ' 34' ' ' ILE . 17.2 t60 -62.47 -54.45 39.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -38.99 -26.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 31' ' ' HIS . 67.9 mtm180 -58.3 -46.98 85.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.488 HD11 ' CE1' ' A' ' 31' ' ' HIS . 9.9 pt -45.54 -24.01 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.586 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 93.3 m-70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.469 ' HD2' ' N ' ' A' ' 11' ' ' ARG . 3.0 mpt_? . . . . . 0 C--O 1.231 0.086 0 CA-C-O 121.64 0.733 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -3.9 12.94 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.648 2.232 . . . . 0.0 112.371 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.445 ' HB3' HD22 ' A' ' 28' ' ' LEU . 29.2 m80 -117.07 102.16 9.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -113.69 126.77 55.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.43 ' HA ' HD11 ' A' ' 28' ' ' LEU . 48.5 t -61.58 122.57 15.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -87.29 22.27 2.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.492 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 42.2 mm-40 -119.27 -38.72 2.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.845 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.2 p -129.28 -41.64 1.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 132.14 -21.97 4.3 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.475 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.1 mtpt -54.8 130.93 42.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.815 0.34 . . . . 0.0 110.859 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.0 p -112.41 164.44 13.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -141.61 155.85 45.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.437 HD11 ' CZ ' ' A' ' 11' ' ' ARG . 4.9 mp -71.54 -47.25 59.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -97.89 141.65 30.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.3 p -61.12 -34.92 75.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.78 -34.18 74.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.098 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 54.6 m170 -65.9 -40.27 91.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.445 HD22 ' HB3' ' A' ' 13' ' ' HIS . 61.9 tp -75.4 -58.28 3.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.7 mt -38.48 -35.41 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -81.35 -41.86 21.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.465 ' O ' HG23 ' A' ' 34' ' ' ILE . 33.1 t60 -61.18 -52.87 63.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -46.02 -21.09 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.405 ' N ' ' C ' ' A' ' 31' ' ' HIS . 20.9 mmm180 -62.99 -40.95 99.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.465 HG23 ' O ' ' A' ' 31' ' ' HIS . 7.0 pt -53.53 -16.99 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.492 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 74.2 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.449 ' HD2' ' N ' ' A' ' 11' ' ' ARG . 5.6 mpt_? . . . . . 0 C--O 1.231 0.097 0 CA-C-O 121.614 0.721 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -3.6 12.34 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.319 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 20.8 m80 -127.18 110.82 13.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.7 tttt -123.74 135.98 54.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.9 t -64.78 131.05 45.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 60.0 m-20 -95.75 20.71 9.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.441 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 12.4 mm-40 -119.41 -38.9 2.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.1 p -125.23 -46.54 1.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 135.69 -24.74 3.3 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.487 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -50.99 132.43 27.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.833 0.349 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.469 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 78.2 p -110.84 163.06 14.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.469 ' CD1' ' C ' ' A' ' 21' ' ' SER . 4.6 m-85 -140.27 163.03 33.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.3 mt -79.55 -50.23 18.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -100.32 130.88 46.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 71.4 p -47.92 -46.7 32.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.81 -44.48 39.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.09 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 58.7 m170 -56.26 -49.36 74.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 31' ' ' HIS . 56.4 tp -67.33 -56.67 8.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.4 mt -39.96 -34.4 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -83.9 -33.17 24.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.778 ' O ' HG23 ' A' ' 34' ' ' ILE . 17.0 t60 -69.5 -38.92 77.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -56.77 -14.21 3.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -74.05 -12.95 60.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.778 HG23 ' O ' ' A' ' 31' ' ' HIS . 11.3 pt -73.53 -13.83 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.165 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.441 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 50.4 m-70 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.819 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.9 mtt85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.621 0.725 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 2.63 3.34 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.696 2.264 . . . . 0.0 112.375 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.445 ' HB3' HD22 ' A' ' 28' ' ' LEU . 40.3 m80 -137.66 131.69 31.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.8 ttpt -143.1 124.96 15.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.6 t -55.49 131.68 46.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 -91.14 21.9 4.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -117.35 -63.95 1.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.823 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.2 p -95.6 -38.97 10.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.04 13.26 7.2 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.466 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.538 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 25.6 mttm -72.92 173.25 9.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.777 0.322 . . . . 0.0 110.925 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 89.0 p -144.96 152.23 39.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -137.31 161.65 35.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 69.3 mt -68.91 -61.34 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -100.79 158.47 15.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.7 p -62.38 -44.67 95.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.92 -41.48 24.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.103 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 54.2 m170 -59.74 -50.41 73.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 31' ' ' HIS . 52.6 tp -64.26 -56.16 16.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 81.9 mt -42.48 -33.25 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.12 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -81.02 -32.26 34.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.958 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.538 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 12.4 t60 -72.85 -51.28 19.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -43.19 -22.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 31' ' ' HIS . 70.1 mtt-85 -61.41 -43.03 99.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.463 HD11 ' CE1' ' A' ' 31' ' ' HIS . 6.8 pt -53.84 -14.72 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 179.915 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.636 0.732 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -3.92 12.98 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.691 2.261 . . . . 0.0 112.323 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.57 ' HB3' HD22 ' A' ' 28' ' ' LEU . 21.9 m80 -122.06 115.73 23.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.3 tttt -129.82 136.96 50.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.9 t -73.93 128.18 34.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -91.7 22.77 3.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.491 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 6.3 mm-40 -118.28 -46.15 2.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.5 p -116.92 -43.81 2.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.71 20.32 3.2 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.495 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.3 mtpt -93.34 131.33 38.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.811 0.338 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.409 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 93.4 p -109.3 159.61 16.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.409 ' CD1' ' C ' ' A' ' 21' ' ' SER . 15.4 m-85 -141.15 157.28 45.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 54.1 mt -66.94 -57.6 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.125 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -98.14 152.94 18.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.9 m -62.28 -48.49 79.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.72 -41.9 11.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.088 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -60.92 -41.2 95.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.57 HD22 ' HB3' ' A' ' 13' ' ' HIS . 49.0 tp -74.7 -56.45 4.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 63.4 mt -42.27 -32.19 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -84.0 -35.85 23.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.849 ' O ' HG23 ' A' ' 34' ' ' ILE . 4.8 t60 -67.72 -44.52 77.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -51.26 -26.79 7.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.3 mtm180 -57.65 -28.87 64.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.849 HG23 ' O ' ' A' ' 31' ' ' HIS . 8.5 pt -58.68 -16.55 8.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.159 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.679 ' NE2' HD11 ' A' ' 34' ' ' ILE . 39.4 m-70 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.616 0.722 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -0.96 7.67 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.697 2.264 . . . . 0.0 112.339 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 21.3 m80 -121.03 87.34 2.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.3 tttt -96.05 136.32 36.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.575 ' HA ' HD11 ' A' ' 28' ' ' LEU . 46.7 t -64.78 129.24 39.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.3 21.99 3.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.561 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 49.9 mm-40 -121.55 -43.65 2.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.2 p -122.46 -49.19 2.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 139.97 -18.23 2.95 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.515 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.6 mttp -57.05 129.67 42.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.801 0.334 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -106.77 162.7 13.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -139.69 146.65 39.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 76.7 mt -59.04 -43.06 88.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.139 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -107.7 149.19 28.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 79.9 p -67.13 -34.5 77.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.25 -35.34 78.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.118 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 45.3 m170 -65.57 -32.56 74.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.575 HD11 ' HA ' ' A' ' 15' ' ' CYS . 60.8 tp -80.38 -53.16 6.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.6 mt -44.49 -31.96 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -83.38 -28.35 29.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.499 ' CE1' ' CD1' ' A' ' 34' ' ' ILE . 50.2 t60 -77.44 -49.69 14.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.814 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -45.83 -21.2 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.406 ' N ' ' C ' ' A' ' 31' ' ' HIS . 16.6 mtt-85 -63.17 -39.94 96.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.499 ' CD1' ' CE1' ' A' ' 31' ' ' HIS . 7.4 pt -54.64 -16.49 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.137 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.561 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 87.6 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.638 0.733 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -2.01 9.46 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.333 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -139.75 126.56 20.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -142.0 146.83 36.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.8 t -84.3 157.02 21.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -105.36 -32.03 8.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.469 ' HG3' ' CB ' ' A' ' 35' ' ' HIS . 44.5 mm-40 -61.92 -59.6 4.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.7 p -101.74 -47.6 4.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.14 24.02 4.01 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.517 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.5 mttp -82.49 136.09 34.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.783 0.325 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 24.7 p -104.73 144.11 32.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.418 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 74.1 m-85 -127.81 167.43 16.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.448 HD12 ' N ' ' A' ' 23' ' ' ILE . 4.7 mp -88.93 -47.83 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.083 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -98.86 137.51 37.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.453 ' O ' HD12 ' A' ' 29' ' ' ILE . 2.8 p -58.47 -20.98 49.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.406 ' HA ' HD12 ' A' ' 29' ' ' ILE . . . -75.19 -34.73 61.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.084 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 66.6 m170 -64.14 -34.13 77.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.7 tp -78.67 -53.32 7.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.453 HD12 ' O ' ' A' ' 25' ' ' SER . 20.1 mt -45.53 -29.71 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.1 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -91.8 -35.66 13.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.689 ' O ' HG23 ' A' ' 34' ' ' ILE . 8.7 t60 -63.88 -45.96 87.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -52.94 -17.41 1.41 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -67.63 -28.95 68.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.689 HG23 ' O ' ' A' ' 31' ' ' HIS . 9.1 pt -59.41 -13.15 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.545 ' CE1' HD11 ' A' ' 34' ' ' ILE . 44.6 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.803 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.6 mtt180 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.599 0.714 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -3.89 12.92 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.653 2.235 . . . . 0.0 112.395 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 46.8 m80 -136.06 134.7 38.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.2 tttt -143.52 152.28 41.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.2 t -88.92 122.06 31.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.6 t30 -86.22 21.95 1.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.567 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 41.6 mm-40 -115.63 -56.25 2.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.3 p -113.17 -31.96 6.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.12 10.3 11.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.0 mmtt -70.57 134.91 48.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.8 0.333 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.5 p -115.26 151.47 34.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.446 ' CD2' ' HB3' ' A' ' 27' ' ' HIS . 22.6 m-85 -139.03 159.61 41.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 37.6 mt -75.05 -46.01 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -104.32 154.83 19.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 85.9 p -66.75 -44.38 81.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.27 -39.45 30.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.09 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.446 ' HB3' ' CD2' ' A' ' 22' ' ' PHE . 48.9 m170 -61.7 -45.07 95.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.1 tp -71.73 -56.51 5.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 26.4 mt -41.49 -32.21 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.418 ' NE2' ' HD2' ' A' ' 33' ' ' ARG . 18.5 mm-40 -84.48 -45.66 12.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.429 ' O ' HG23 ' A' ' 34' ' ' ILE . 21.0 t60 -54.77 -49.8 70.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -43.86 -22.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.418 ' HD2' ' NE2' ' A' ' 30' ' ' GLN . 81.6 mtp180 -61.4 -42.47 98.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.429 ' H ' HG23 ' A' ' 34' ' ' ILE . 7.4 pt -53.68 -17.09 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.567 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 82.7 m-70 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 60.0 mmt-85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.579 0.704 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.535 ' O ' ' CD2' ' A' ' 13' ' ' HIS . 53.8 Cg_endo -69.77 2.85 3.16 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.702 2.268 . . . . 0.0 112.35 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.535 ' CD2' ' O ' ' A' ' 12' ' ' PRO . 20.1 m80 -153.72 121.09 5.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -131.04 145.48 52.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.3 t -79.56 153.42 29.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 -103.37 -36.52 7.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.574 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 26.8 mp0 -57.57 -66.53 0.45 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.8 p -98.84 -42.45 7.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.48 15.07 7.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -75.71 125.23 28.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.774 0.321 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.6 m -100.85 153.34 19.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 7.2 m-85 -131.85 178.57 6.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 70.4 mt -88.75 -44.54 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -113.05 142.64 45.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 91.3 p -53.97 -31.27 50.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.04 -40.14 88.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.085 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 30.9 m170 -62.32 -43.28 99.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.861 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 tp -72.04 -56.92 4.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.934 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.6 mt -43.89 -31.79 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -80.31 -36.67 33.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.501 ' O ' ' N ' ' A' ' 33' ' ' ARG . 75.9 t60 -63.97 -56.93 11.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 31' ' ' HIS . 54.9 mt-30 -36.96 -28.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 31' ' ' HIS . 62.4 mtp180 -66.2 -46.49 77.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 31' ' ' HIS . 1.3 pp -57.74 -16.78 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.098 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.574 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 17.1 m-70 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.424 ' HD3' ' C ' ' A' ' 22' ' ' PHE . 42.0 mtt180 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.612 0.72 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -4.78 14.76 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.659 2.239 . . . . 0.0 112.303 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 43.7 m80 -137.3 123.92 21.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.5 tttt -137.4 130.36 30.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.9 t -59.63 118.86 6.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -91.91 21.39 4.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -111.48 -39.46 4.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.0 p -125.26 -40.58 2.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 132.83 -7.43 5.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.493 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.422 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -54.79 167.42 0.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.781 0.324 . . . . 0.0 110.922 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 m -144.98 149.87 35.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.424 ' C ' ' HD3' ' A' ' 11' ' ' ARG . 33.1 m-85 -140.56 164.4 30.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.6 mt -84.51 -54.48 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.133 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -97.3 141.82 29.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 83.5 p -53.34 -49.23 67.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.55 -44.11 12.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.094 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 46.0 m170 -56.36 -51.57 67.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 31' ' ' HIS . 63.6 tp -65.62 -54.99 20.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.1 mt -40.57 -33.04 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -81.82 -34.43 30.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.629 ' O ' HG23 ' A' ' 34' ' ' ILE . 22.1 t60 -71.8 -48.16 48.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -48.17 -28.35 2.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 67.7 mtm180 -54.78 -39.89 68.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.629 HG23 ' O ' ' A' ' 31' ' ' HIS . 4.4 pt -55.09 -18.88 3.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.156 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.52 ' NE2' HD11 ' A' ' 34' ' ' ILE . 83.0 m-70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.843 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.597 0.713 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 2.79 3.2 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.695 2.264 . . . . 0.0 112.36 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.3 m80 -141.83 110.24 6.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.6 tttt -127.82 142.54 51.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.426 ' HA ' HD11 ' A' ' 28' ' ' LEU . 44.0 t -75.46 135.35 40.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 -97.71 20.99 11.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.521 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 27.0 mm-40 -118.89 -52.13 2.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.1 p -109.38 -43.5 4.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.1 15.57 4.66 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.464 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -80.17 131.71 35.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.811 0.338 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 72.7 p -106.11 149.72 26.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.836 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -133.15 167.31 20.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.6 mt -86.19 -44.89 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -106.82 138.42 43.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 98.4 p -51.38 -52.18 48.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -41.55 -43.66 2.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 54.6 m170 -57.87 -49.28 77.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.426 HD11 ' HA ' ' A' ' 15' ' ' CYS . 58.1 tp -68.99 -56.62 7.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 83.1 mt -41.85 -34.35 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -85.2 -43.89 13.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.649 ' O ' HG23 ' A' ' 34' ' ' ILE . 13.0 t60 -55.96 -43.73 77.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.833 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -50.25 -19.59 0.84 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 56.2 mtp85 -65.38 -33.83 76.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.649 HG23 ' O ' ' A' ' 31' ' ' HIS . 8.0 pt -55.4 -15.03 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.092 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.521 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 75.0 m-70 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 121.598 0.713 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.449 ' O ' ' CD2' ' A' ' 13' ' ' HIS . 53.5 Cg_endo -69.78 2.2 3.76 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.687 2.258 . . . . 0.0 112.358 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.449 ' CD2' ' O ' ' A' ' 12' ' ' PRO . 6.5 m80 -150.7 127.42 10.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.5 tttt -138.73 138.36 37.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.5 t -70.72 124.83 25.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -87.57 22.01 2.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -119.14 -60.29 1.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -96.22 -41.88 8.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.73 14.37 6.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.5 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.4 mttm -75.06 174.16 9.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.754 0.312 . . . . 0.0 110.936 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.9 p -143.37 144.03 31.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -127.34 169.1 13.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 33.3 mt -84.55 -40.55 15.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.153 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -116.55 150.41 38.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.955 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.5 p -61.98 -33.5 74.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.28 -44.41 92.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.09 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 41.1 m170 -61.08 -37.23 81.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.843 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.405 HD22 ' HB3' ' A' ' 13' ' ' HIS . 51.3 tp -73.34 -50.11 23.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 39.3 mt -52.26 -28.45 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.172 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -86.38 -19.54 29.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.942 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.506 ' O ' ' N ' ' A' ' 33' ' ' ARG . 56.6 t60 -85.5 -65.52 1.0 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 31' ' ' HIS . 82.7 mt-30 -34.95 -31.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 31' ' ' HIS . 42.8 mtt180 -53.01 -49.59 65.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.436 HG13 ' N ' ' A' ' 35' ' ' HIS . 4.3 pt -44.83 -21.91 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.099 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.436 ' N ' HG13 ' A' ' 34' ' ' ILE . 45.0 m80 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.6 0.714 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 2.62 3.39 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.686 2.257 . . . . 0.0 112.348 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 30.1 m80 -146.04 111.74 5.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.0 tttm -127.92 144.04 51.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.9 t -81.61 124.21 29.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -88.23 21.98 2.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -118.6 -53.76 2.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.9 p -105.15 -46.75 4.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.73 21.4 3.58 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.539 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.3 mttp -90.96 126.94 36.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.793 0.33 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 79.2 p -100.43 142.65 31.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.823 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -123.71 171.29 9.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.425 HD12 ' N ' ' A' ' 23' ' ' ILE . 5.1 mp -89.72 -54.93 6.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -101.64 135.63 42.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 82.5 p -47.4 -44.38 24.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.04 -40.23 30.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.127 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 50.9 m170 -60.43 -51.66 68.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.9 tp -64.25 -52.02 60.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 73.5 mt -49.11 -31.0 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 55.5 mm-40 -86.24 -21.57 27.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.511 ' O ' ' N ' ' A' ' 33' ' ' ARG . 35.5 t60 -83.32 -62.2 1.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 31' ' ' HIS . 48.3 mt-30 -35.99 -29.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 31' ' ' HIS . 63.6 mtt-85 -54.76 -48.91 72.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.461 HG13 ' N ' ' A' ' 35' ' ' HIS . 4.2 pt -44.75 -22.76 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.174 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.461 ' N ' HG13 ' A' ' 34' ' ' ILE . 87.9 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.43 ' HD3' ' C ' ' A' ' 22' ' ' PHE . 95.6 mtt180 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.594 0.711 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 2.83 3.18 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.651 2.234 . . . . 0.0 112.34 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.421 ' HB3' HD22 ' A' ' 28' ' ' LEU . 37.3 m80 -145.15 124.26 12.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.859 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.6 tttt -139.47 140.5 37.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.7 t -80.22 159.66 25.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -108.91 -40.41 5.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.547 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 14.7 mm-40 -53.41 -55.58 23.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.8 p -109.37 -42.63 4.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.59 17.7 6.9 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.471 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.7 mttm -78.85 127.82 32.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.775 0.321 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.2 m -106.72 154.51 20.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.465 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 2.9 m-85 -135.82 173.98 11.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.3 mt -84.37 -56.21 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.147 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -99.01 140.52 33.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 74.1 p -52.43 -39.34 60.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.78 -40.53 66.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.117 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 37.5 m170 -61.65 -43.54 98.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.421 HD22 ' HB3' ' A' ' 13' ' ' HIS . 58.1 tp -71.96 -57.89 3.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 73.2 mt -40.57 -34.51 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -81.25 -39.72 24.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.514 ' O ' ' N ' ' A' ' 33' ' ' ARG . 15.9 t60 -61.23 -64.37 0.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 31' ' ' HIS . 57.2 mt-30 -35.79 -29.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.514 ' N ' ' O ' ' A' ' 31' ' ' HIS . 14.3 mmm180 -54.25 -49.07 70.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.475 HG13 ' N ' ' A' ' 35' ' ' HIS . 4.3 pt -44.7 -23.47 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.147 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.547 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 56.4 m-70 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.822 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 57.5 mtt-85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.656 0.741 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 1.93 3.99 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.717 2.278 . . . . 0.0 112.348 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.758 ' HB3' HD22 ' A' ' 28' ' ' LEU . 24.3 m80 -144.05 131.18 20.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -141.1 149.12 41.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 19' ' ' GLY . 24.5 t -101.22 84.33 2.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -45.06 -31.45 1.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -51.23 -63.53 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.8 p -107.53 -40.14 5.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 122.09 15.03 4.38 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.7 mmtt -79.05 137.11 37.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 89.0 p -116.89 155.67 28.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -140.64 173.61 11.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.5 mp -90.09 -54.3 7.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -101.4 157.27 16.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 72.3 m -61.46 -50.85 71.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.67 -43.43 8.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.081 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 57.1 m170 -58.25 -49.21 77.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.758 HD22 ' HB3' ' A' ' 13' ' ' HIS . 66.4 tp -67.91 -56.57 8.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 56.8 mt -42.09 -33.76 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -79.51 -31.75 42.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.952 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.519 ' O ' ' N ' ' A' ' 33' ' ' ARG . 41.7 t60 -73.38 -60.86 2.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 31' ' ' HIS . 67.4 mt-30 -35.5 -30.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 31' ' ' HIS . 54.7 mtp180 -54.3 -49.25 70.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.756 HD11 ' NE2' ' A' ' 35' ' ' HIS . 4.3 pt -44.93 -21.45 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.1 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.756 ' NE2' HD11 ' A' ' 34' ' ' ILE . 75.9 m-70 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.613 0.721 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 1.81 4.09 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.711 2.274 . . . . 0.0 112.321 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.416 ' HB3' HD22 ' A' ' 28' ' ' LEU . 69.4 m-70 -149.29 109.88 4.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.446 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 30.2 tttt -123.27 145.72 48.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.446 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 42.3 t -83.87 158.6 21.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -108.1 -33.25 7.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.942 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.455 ' HG3' ' CB ' ' A' ' 35' ' ' HIS . 44.7 mm-40 -59.13 -68.22 0.29 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -93.14 -42.29 9.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.96 17.73 7.2 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -86.61 141.13 29.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.812 0.339 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 m -114.94 162.2 17.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.508 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 11.6 m-85 -138.49 169.94 16.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 57.5 mt -75.02 -60.47 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.116 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -102.0 153.71 19.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.925 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 64.0 p -56.88 -49.03 76.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.84 -41.4 5.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 53.9 m170 -61.65 -43.27 99.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 31' ' ' HIS . 42.4 tp -73.11 -56.1 5.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.1 mt -40.99 -33.88 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.1 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -85.9 -31.1 22.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.653 ' O ' HG23 ' A' ' 34' ' ' ILE . 10.9 t60 -71.17 -50.42 33.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -49.29 -19.64 0.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 51.8 mtt180 -64.91 -35.1 80.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.653 HG23 ' O ' ' A' ' 31' ' ' HIS . 10.8 pt -52.39 -15.72 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.623 ' CE1' HD11 ' A' ' 34' ' ' ILE . 10.3 m80 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.834 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.408 ' HD3' ' C ' ' A' ' 22' ' ' PHE . 53.4 mtt180 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.575 0.702 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.433 ' HG2' ' CE1' ' A' ' 13' ' ' HIS . 53.4 Cg_endo -69.81 2.1 3.86 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.619 2.213 . . . . 0.0 112.328 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.433 ' CE1' ' HG2' ' A' ' 12' ' ' PRO . 10.9 m80 -138.73 118.14 12.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -136.9 141.27 42.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.5 t -79.04 153.28 30.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -99.89 -30.44 12.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.533 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 0.7 OUTLIER -64.61 -63.69 1.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.3 p -98.4 -48.49 5.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.63 16.66 4.97 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.45 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.6 mttm -73.13 133.56 44.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.75 0.309 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.8 p -102.83 150.15 23.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.826 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.408 ' C ' ' HD3' ' A' ' 11' ' ' ARG . 32.4 m-85 -134.94 161.35 35.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.3 mt -77.48 -43.04 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.42 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 92.3 mt-30 -112.34 143.67 43.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 72.2 p -56.31 -49.96 72.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.73 -47.16 7.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.112 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.42 ' CE1' ' HB2' ' A' ' 24' ' ' GLN . 29.9 m170 -56.85 -43.63 81.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.2 tp -68.75 -49.97 54.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 15.8 mt -56.12 -27.76 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -88.03 -14.31 39.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.477 ' O ' ' N ' ' A' ' 33' ' ' ARG . 24.2 t60 -87.97 -54.07 4.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -40.6 -24.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 31' ' ' HIS . 17.7 mtp85 -59.86 -44.8 93.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.813 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.406 HG12 ' O ' ' A' ' 31' ' ' HIS . 8.7 pt -48.83 -18.47 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.533 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 84.8 m-70 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? . . . . . 0 C--O 1.231 0.09 0 CA-C-O 121.609 0.719 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.485 ' HG2' ' CD2' ' A' ' 13' ' ' HIS . 53.6 Cg_endo -69.75 -4.5 14.15 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.648 2.232 . . . . 0.0 112.363 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.569 ' CE1' ' HB2' ' A' ' 25' ' ' SER . 11.8 m-70 -122.49 131.99 54.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -141.79 145.28 34.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.4 t -85.1 161.34 19.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -107.71 -39.09 5.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.558 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 2.1 mp0 -58.18 -56.23 24.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -103.83 -45.84 4.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.03 20.92 6.53 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.445 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -81.85 139.59 34.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.821 0.343 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 87.8 p -106.95 143.53 34.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.833 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -125.33 145.31 50.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.761 ' H ' HD12 ' A' ' 23' ' ' ILE . 5.0 mp -56.39 -50.24 73.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.103 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.449 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 72.1 mt-30 -111.98 145.3 39.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.569 ' HB2' ' CE1' ' A' ' 13' ' ' HIS . 15.3 t -55.59 -53.56 54.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.817 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.492 ' O ' ' NE2' ' A' ' 30' ' ' GLN . . . -38.82 -41.95 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.055 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' A' ' 24' ' ' GLN . 22.7 m170 -62.17 -41.33 98.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 25' ' ' SER . 59.7 tp -70.13 -55.65 8.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 78.1 mt -44.95 -32.8 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.115 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.492 ' NE2' ' O ' ' A' ' 26' ' ' ALA . 2.4 mp0 -84.83 -29.55 25.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.519 ' O ' ' N ' ' A' ' 33' ' ' ARG . 22.3 t60 -72.89 -57.85 3.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 31' ' ' HIS . 79.9 mt-30 -37.79 -26.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.952 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 31' ' ' HIS . 15.2 mtp-105 -57.92 -47.66 82.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.436 HG13 ' N ' ' A' ' 35' ' ' HIS . 4.2 pt -44.57 -21.43 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.558 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 91.6 m-70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.843 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.2 mtt180 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.621 0.724 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -0.46 6.96 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.617 2.211 . . . . 0.0 112.334 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 14.3 m80 -135.53 109.41 8.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.84 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -124.51 138.04 54.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.2 t -76.67 124.34 27.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -91.19 12.94 18.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -105.03 -40.1 6.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.1 p -126.66 -39.86 1.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.65 13.45 5.14 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.516 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -87.42 126.86 35.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.776 0.322 . . . . 0.0 110.935 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.484 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 4.2 m -109.56 162.44 14.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.484 ' CD1' ' C ' ' A' ' 21' ' ' SER . 2.8 m-85 -141.13 152.7 44.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 17.3 mt -59.61 -53.1 53.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -105.42 154.57 20.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 28' ' ' LEU . 26.6 t -61.34 -53.65 53.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -39.34 -43.19 1.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.142 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 61.8 m170 -60.43 -38.93 85.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.824 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 25' ' ' SER . 59.3 tp -76.94 -55.64 5.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 90.1 mt -39.9 -33.76 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.103 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -80.57 -42.65 21.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.509 ' O ' ' N ' ' A' ' 33' ' ' ARG . 47.2 t60 -61.65 -55.04 34.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -38.71 -25.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.509 ' N ' ' O ' ' A' ' 31' ' ' HIS . 71.2 mtp180 -58.9 -46.65 87.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.722 HD11 ' NE2' ' A' ' 35' ' ' HIS . 3.8 pt -50.24 -17.32 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.722 ' NE2' HD11 ' A' ' 34' ' ' ILE . 82.8 m-70 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.9 mmm180 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 121.625 0.726 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 2.92 3.11 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.683 2.256 . . . . 0.0 112.323 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 30.4 m80 -150.18 108.11 3.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.455 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 27.5 tttt -122.42 144.67 48.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.455 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 48.5 t -83.42 162.65 20.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -113.12 -37.66 4.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.456 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 53.4 mm-40 -56.92 -57.68 11.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -105.03 -43.26 5.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.57 17.43 6.54 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.511 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -81.61 138.87 35.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.811 0.339 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.3 m -112.3 159.61 18.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -137.86 -179.91 6.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.464 HD12 ' N ' ' A' ' 23' ' ' ILE . 4.5 mp -89.36 -49.52 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -107.22 166.35 10.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 85.3 p -74.3 -34.73 63.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.37 -36.41 77.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.092 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -63.21 -47.34 82.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.6 tp -71.07 -49.93 39.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 57.7 mt -48.15 -31.2 2.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -87.47 -20.4 26.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.526 ' O ' ' N ' ' A' ' 33' ' ' ARG . 25.0 t60 -82.43 -60.37 2.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 31' ' ' HIS . 83.9 mt-30 -37.14 -27.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 31' ' ' HIS . 42.2 mtp180 -56.92 -47.98 79.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.857 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.43 HG13 ' N ' ' A' ' 35' ' ' HIS . 4.1 pt -45.06 -21.35 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.456 ' CE1' ' HB2' ' A' ' 17' ' ' GLU . 31.1 m80 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.3 p -89.41 100.51 13.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.877 0.37 . . . . 0.0 110.908 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.9 p -67.42 119.08 11.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.32 132.15 6.53 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.505 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 t 68.7 42.06 1.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.886 0.374 . . . . 0.0 110.861 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.3 p -120.58 114.54 21.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.59 -140.57 6.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.491 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.0 t -104.8 135.6 45.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 0.0 111.12 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.86 99.94 1.72 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.477 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -128.2 168.84 14.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.856 0.36 . . . . 0.0 110.871 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -126.17 145.26 51.79 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.6 0.714 . . . . 0.0 110.881 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -3.41 11.96 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.706 2.27 . . . . 0.0 112.353 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -128.81 131.18 47.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.47 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 0.6 OUTLIER -141.18 144.8 34.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.47 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 12.2 t -74.6 136.72 42.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.4 m-20 -92.37 -6.97 49.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.586 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 18.0 mm-40 -84.71 -53.24 5.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.0 p -108.54 -49.36 3.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 130.26 1.92 5.15 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.498 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.48 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 20.9 mtpp -59.52 176.11 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.762 0.315 . . . . 0.0 110.89 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.9 p -144.27 153.03 41.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -141.35 151.14 43.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.7 mt -63.3 -51.1 75.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -106.83 153.63 22.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.8 p -62.45 -54.18 43.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.25 -33.9 0.69 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.097 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 58.5 m170 -66.3 -44.23 84.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.454 HD11 ' HA ' ' A' ' 15' ' ' CYS . 42.6 tp -73.21 -54.55 8.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 40.4 mt -43.39 -31.72 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.172 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -82.44 -39.07 23.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.934 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.488 ' CE1' HD11 ' A' ' 34' ' ' ILE . 17.2 t60 -62.47 -54.45 39.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -38.99 -26.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 31' ' ' HIS . 67.9 mtm180 -58.3 -46.98 85.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.488 HD11 ' CE1' ' A' ' 31' ' ' HIS . 9.9 pt -45.54 -24.01 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.586 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 93.3 m-70 -87.1 -46.71 9.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.547 ' O ' HG23 ' A' ' 36' ' ' THR . 9.9 t -106.5 111.56 24.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.186 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.87 -150.64 21.51 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -109.45 123.47 49.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.91 0.386 . . . . 0.0 110.872 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.54 80.31 72.12 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.616 0.722 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -3.57 12.31 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.697 2.265 . . . . 0.0 112.318 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.1 t -84.68 -40.83 16.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -41.66 147.95 0.41 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.452 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -28.01 25.79 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.666 2.244 . . . . 0.0 112.314 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.5 m -43.52 111.92 0.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.817 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.0 m -55.35 152.03 9.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.841 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.098 -0.835 . . . . 0.0 112.444 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 t 47.02 42.07 12.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.359 . . . . 0.0 110.859 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.8 p -73.82 129.56 38.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.29 -157.0 10.4 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 6' ' ' SER . 3.8 t -117.9 83.84 2.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.902 0.382 . . . . 0.0 110.898 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 5' ' ' SER . 3.7 t 36.78 41.58 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.814 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.26 -161.76 26.87 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.507 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.2 t -115.31 137.28 52.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.851 0.358 . . . . 0.0 111.129 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.01 137.96 10.03 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.516 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.434 ' OE1' ' C ' ' A' ' 10' ' ' GLU . 0.4 OUTLIER -100.77 160.8 14.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.79 0.329 . . . . 0.0 110.899 -179.812 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.469 ' HD2' ' N ' ' A' ' 11' ' ' ARG . 3.0 mpt_? -114.57 145.1 33.11 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.64 0.733 . . . . 0.0 110.843 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -3.9 12.94 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.648 2.232 . . . . 0.0 112.371 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.445 ' HB3' HD22 ' A' ' 28' ' ' LEU . 29.2 m80 -117.07 102.16 9.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -113.69 126.77 55.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.43 ' HA ' HD11 ' A' ' 28' ' ' LEU . 48.5 t -61.58 122.57 15.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -87.29 22.27 2.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.492 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 42.2 mm-40 -119.27 -38.72 2.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.845 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.2 p -129.28 -41.64 1.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 132.14 -21.97 4.3 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.475 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.1 mtpt -54.8 130.93 42.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.815 0.34 . . . . 0.0 110.859 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.0 p -112.41 164.44 13.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -141.61 155.85 45.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.437 HD11 ' CZ ' ' A' ' 11' ' ' ARG . 4.9 mp -71.54 -47.25 59.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -97.89 141.65 30.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.3 p -61.12 -34.92 75.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.78 -34.18 74.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.098 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 54.6 m170 -65.9 -40.27 91.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.445 HD22 ' HB3' ' A' ' 13' ' ' HIS . 61.9 tp -75.4 -58.28 3.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.7 mt -38.48 -35.41 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -81.35 -41.86 21.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.465 ' O ' HG23 ' A' ' 34' ' ' ILE . 33.1 t60 -61.18 -52.87 63.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -46.02 -21.09 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.405 ' N ' ' C ' ' A' ' 31' ' ' HIS . 20.9 mmm180 -62.99 -40.95 99.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.465 HG23 ' O ' ' A' ' 31' ' ' HIS . 7.0 pt -53.53 -16.99 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.492 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 74.2 m-70 -108.11 27.13 9.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -152.03 125.77 8.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 104.79 49.94 0.99 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.501 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.433 ' C ' ' HD3' ' A' ' 40' ' ' PRO . 51.0 mt-10 -127.81 78.37 1.82 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.909 0.385 . . . . 0.0 110.882 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.514 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 28.9 ttpt 39.2 50.19 2.7 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.561 0.696 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.6 Cg_endo -69.79 118.8 5.9 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.672 2.248 . . . . 0.0 112.306 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.3 t -118.59 154.91 31.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 51.49 -160.03 2.1 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.498 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 90.01 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.721 2.28 . . . . 0.0 112.371 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.1 t -54.93 -54.83 37.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.883 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.8 t -128.29 174.87 8.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.148 -0.807 . . . . 0.0 112.48 179.966 . . . . . . . . 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 -0.329 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 t -129.28 134.33 47.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.873 0.368 . . . . 0.0 110.868 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 t -91.9 -58.45 2.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.852 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.86 79.95 0.11 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 t -72.43 134.94 45.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.89 0.376 . . . . 0.0 110.836 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.9 p -59.92 108.05 0.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.837 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.25 142.29 4.3 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.508 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 t -76.93 140.05 40.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.835 0.35 . . . . 0.0 111.123 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 177.5 59.82 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.484 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -132.73 175.16 9.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.843 0.354 . . . . 0.0 110.878 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.449 ' HD2' ' N ' ' A' ' 11' ' ' ARG . 5.6 mpt_? -100.94 144.53 28.73 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.614 0.721 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -3.6 12.34 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.319 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 20.8 m80 -127.18 110.82 13.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.7 tttt -123.74 135.98 54.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.9 t -64.78 131.05 45.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 60.0 m-20 -95.75 20.71 9.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.441 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 12.4 mm-40 -119.41 -38.9 2.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.1 p -125.23 -46.54 1.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 135.69 -24.74 3.3 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.487 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -50.99 132.43 27.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.833 0.349 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.469 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 78.2 p -110.84 163.06 14.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.469 ' CD1' ' C ' ' A' ' 21' ' ' SER . 4.6 m-85 -140.27 163.03 33.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.3 mt -79.55 -50.23 18.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -100.32 130.88 46.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 71.4 p -47.92 -46.7 32.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.81 -44.48 39.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.09 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 58.7 m170 -56.26 -49.36 74.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 31' ' ' HIS . 56.4 tp -67.33 -56.67 8.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.4 mt -39.96 -34.4 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -83.9 -33.17 24.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.778 ' O ' HG23 ' A' ' 34' ' ' ILE . 17.0 t60 -69.5 -38.92 77.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -56.77 -14.21 3.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -74.05 -12.95 60.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.778 HG23 ' O ' ' A' ' 31' ' ' HIS . 11.3 pt -73.53 -13.83 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.165 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.441 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 50.4 m-70 -112.17 -43.22 3.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.819 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.7 p -71.59 83.67 0.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.172 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -134.45 -131.99 3.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.529 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -48.43 116.21 1.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.923 0.392 . . . . 0.0 110.853 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -148.77 144.63 18.51 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.58 0.705 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -20.11 35.59 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.353 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.4 m -109.81 124.31 51.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 140.71 153.52 6.01 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.497 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -30.32 22.47 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.0 m -64.84 138.42 58.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 45.0 t -44.33 166.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.471 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.431 -0.267 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.3 p -121.51 122.91 40.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.361 . . . . 0.0 110.834 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.5 m -125.33 -55.1 1.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.62 -55.56 0.76 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.532 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -160.28 140.43 11.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.929 0.395 . . . . 0.0 110.866 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.8 t -156.58 109.89 2.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.847 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.79 162.13 9.29 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.525 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 66.9 p -84.52 46.47 1.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.813 0.34 . . . . 0.0 111.14 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.14 93.48 1.21 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.481 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -86.14 -23.7 26.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 0.0 110.889 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.9 mtt85 -144.08 144.01 24.69 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.621 0.725 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 2.63 3.34 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.696 2.264 . . . . 0.0 112.375 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.445 ' HB3' HD22 ' A' ' 28' ' ' LEU . 40.3 m80 -137.66 131.69 31.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.8 ttpt -143.1 124.96 15.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.6 t -55.49 131.68 46.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 -91.14 21.9 4.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -117.35 -63.95 1.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.823 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.2 p -95.6 -38.97 10.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.04 13.26 7.2 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.466 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.538 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 25.6 mttm -72.92 173.25 9.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.777 0.322 . . . . 0.0 110.925 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 89.0 p -144.96 152.23 39.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -137.31 161.65 35.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 69.3 mt -68.91 -61.34 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -100.79 158.47 15.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.7 p -62.38 -44.67 95.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.92 -41.48 24.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.103 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 54.2 m170 -59.74 -50.41 73.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 31' ' ' HIS . 52.6 tp -64.26 -56.16 16.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 81.9 mt -42.48 -33.25 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.12 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -81.02 -32.26 34.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.958 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.538 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 12.4 t60 -72.85 -51.28 19.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -43.19 -22.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.465 ' HA ' HG23 ' A' ' 36' ' ' THR . 70.1 mtt-85 -61.41 -43.03 99.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.463 HD11 ' CE1' ' A' ' 31' ' ' HIS . 6.8 pt -53.84 -14.72 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -109.07 23.51 14.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.465 HG23 ' HA ' ' A' ' 33' ' ' ARG . 1.6 p -122.24 140.15 52.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.182 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 110.67 -47.55 1.03 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.469 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -113.49 77.72 1.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.935 0.397 . . . . 0.0 110.899 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.6 mttp -64.04 161.45 39.24 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.568 0.699 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 1.94 4.0 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.677 2.252 . . . . 0.0 112.367 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 t 74.47 54.09 0.09 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.99 146.2 0.73 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.472 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 2.2 3.77 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.31 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.4 m -117.69 82.93 1.91 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 92.4 p -121.81 151.41 40.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.179 -0.789 . . . . 0.0 112.508 -179.951 . . . . . . . . 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 1.452 -0.284 0 N-CA-C 112.456 -0.257 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.1 p -109.26 41.61 1.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.368 . . . . 0.0 110.883 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.1 p -76.9 128.07 33.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.842 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.31 -43.11 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.477 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 m -51.71 97.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.854 0.359 . . . . 0.0 110.865 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.2 p -50.8 151.18 2.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.93 -50.62 54.06 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.478 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.2 p -54.32 166.47 0.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.787 0.327 . . . . 0.0 111.143 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.48 64.79 1.37 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.457 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.419 ' C ' ' HD2' ' A' ' 11' ' ' ARG . 26.5 tt0 -96.35 160.65 14.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.854 0.359 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.419 ' HD2' ' C ' ' A' ' 10' ' ' GLU . 3.0 mpt_? -128.42 143.95 50.13 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.636 0.732 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -3.92 12.98 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.691 2.261 . . . . 0.0 112.323 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.57 ' HB3' HD22 ' A' ' 28' ' ' LEU . 21.9 m80 -122.06 115.73 23.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.3 tttt -129.82 136.96 50.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.9 t -73.93 128.18 34.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -91.7 22.77 3.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.491 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 6.3 mm-40 -118.28 -46.15 2.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.5 p -116.92 -43.81 2.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.71 20.32 3.2 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.495 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.3 mtpt -93.34 131.33 38.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.811 0.338 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.409 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 93.4 p -109.3 159.61 16.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.409 ' CD1' ' C ' ' A' ' 21' ' ' SER . 15.4 m-85 -141.15 157.28 45.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 54.1 mt -66.94 -57.6 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.125 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -98.14 152.94 18.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.9 m -62.28 -48.49 79.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.72 -41.9 11.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.088 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -60.92 -41.2 95.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.57 HD22 ' HB3' ' A' ' 13' ' ' HIS . 49.0 tp -74.7 -56.45 4.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 63.4 mt -42.27 -32.19 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -84.0 -35.85 23.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.849 ' O ' HG23 ' A' ' 34' ' ' ILE . 4.8 t60 -67.72 -44.52 77.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -51.26 -26.79 7.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.3 mtm180 -57.65 -28.87 64.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.849 HG23 ' O ' ' A' ' 31' ' ' HIS . 8.5 pt -58.68 -16.55 8.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.159 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.679 ' NE2' HD11 ' A' ' 34' ' ' ILE . 39.4 m-70 -115.83 25.97 10.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.8 p -130.23 101.68 5.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 38' ' ' GLU . . . 156.75 -154.15 25.29 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.504 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.423 ' C ' ' HD3' ' A' ' 40' ' ' PRO . 11.5 mm-40 -37.14 155.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.881 0.372 . . . . 0.0 110.907 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.516 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 38.4 tttt 40.5 49.71 3.24 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.579 0.704 . . . . 0.0 110.898 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.8 Cg_endo -69.76 99.33 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.647 2.231 . . . . 0.0 112.318 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 62.7 p -63.42 129.3 39.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.07 153.99 20.13 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.527 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 121.19 7.88 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.659 2.239 . . . . 0.0 112.347 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.5 m -112.81 -46.63 3.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 45.2 t -65.23 136.52 56.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.446 179.989 . . . . . . . . 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 1.45 -0.391 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.4 p 38.51 42.28 0.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.899 0.381 . . . . 0.0 110.834 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.7 p -78.34 157.23 29.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.851 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.88 112.57 0.39 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.491 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.7 m -100.69 147.27 26.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.887 0.375 . . . . 0.0 110.871 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.0 p -85.11 175.29 9.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.73 -82.49 0.33 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.463 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.0 m -51.91 130.47 29.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.806 0.336 . . . . 0.0 111.159 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -84.97 -161.62 34.26 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.474 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.4 ' C ' ' HD2' ' A' ' 11' ' ' ARG . 9.1 mm-40 -143.65 147.59 34.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.872 0.368 . . . . 0.0 110.877 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.4 ' HD2' ' C ' ' A' ' 10' ' ' GLU . 7.0 mpt_? -126.31 145.69 53.58 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.616 0.722 . . . . 0.0 110.855 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -0.96 7.67 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.697 2.264 . . . . 0.0 112.339 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 21.3 m80 -121.03 87.34 2.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.3 tttt -96.05 136.32 36.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.575 ' HA ' HD11 ' A' ' 28' ' ' LEU . 46.7 t -64.78 129.24 39.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.3 21.99 3.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.561 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 49.9 mm-40 -121.55 -43.65 2.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.2 p -122.46 -49.19 2.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 139.97 -18.23 2.95 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.515 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.6 mttp -57.05 129.67 42.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.801 0.334 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -106.77 162.7 13.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -139.69 146.65 39.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 76.7 mt -59.04 -43.06 88.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.139 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -107.7 149.19 28.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 79.9 p -67.13 -34.5 77.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.25 -35.34 78.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.118 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 45.3 m170 -65.57 -32.56 74.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.575 HD11 ' HA ' ' A' ' 15' ' ' CYS . 60.8 tp -80.38 -53.16 6.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.6 mt -44.49 -31.96 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -83.38 -28.35 29.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.499 ' CE1' ' CD1' ' A' ' 34' ' ' ILE . 50.2 t60 -77.44 -49.69 14.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.814 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -45.83 -21.2 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.406 ' N ' ' C ' ' A' ' 31' ' ' HIS . 16.6 mtt-85 -63.17 -39.94 96.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.499 ' CD1' ' CE1' ' A' ' 31' ' ' HIS . 7.4 pt -54.64 -16.49 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.137 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.561 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 87.6 m-70 -105.87 21.84 16.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -146.42 111.12 5.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -163.52 -126.19 0.8 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.446 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -74.11 128.46 35.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.925 0.393 . . . . 0.0 110.909 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.473 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 34.0 tttm -173.73 139.35 0.78 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.579 0.704 . . . . 0.0 110.955 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.473 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 53.9 Cg_endo -69.76 139.53 40.46 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.708 2.272 . . . . 0.0 112.359 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 40' ' ' PRO . 56.8 p 35.08 44.31 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -93.17 -94.55 1.48 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.489 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -178.31 2.3 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.695 2.264 . . . . 0.0 112.347 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 56.4 p -116.0 170.53 8.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.4 t -168.43 131.28 1.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 CA-C-O 119.166 -0.797 . . . . 0.0 112.517 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -133.95 104.89 6.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.845 0.355 . . . . 0.0 110.828 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.5 m -89.63 -53.41 4.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.901 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.3 127.18 2.42 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.488 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -139.61 144.99 37.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.837 0.351 . . . . 0.0 110.851 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.5 m -77.63 -47.66 18.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.24 -136.23 8.87 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.1 t -129.56 157.42 42.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.814 0.34 . . . . 0.0 111.131 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.41 124.19 2.96 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.465 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -99.77 117.69 34.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.797 0.332 . . . . 0.0 110.91 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -93.69 153.69 41.11 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.638 0.733 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -2.01 9.46 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.333 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -139.75 126.56 20.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -142.0 146.83 36.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.8 t -84.3 157.02 21.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -105.36 -32.03 8.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.469 ' HG3' ' CB ' ' A' ' 35' ' ' HIS . 44.5 mm-40 -61.92 -59.6 4.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.7 p -101.74 -47.6 4.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.14 24.02 4.01 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.517 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.5 mttp -82.49 136.09 34.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.783 0.325 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 24.7 p -104.73 144.11 32.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.418 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 74.1 m-85 -127.81 167.43 16.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.448 HD12 ' N ' ' A' ' 23' ' ' ILE . 4.7 mp -88.93 -47.83 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.083 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -98.86 137.51 37.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.453 ' O ' HD12 ' A' ' 29' ' ' ILE . 2.8 p -58.47 -20.98 49.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.406 ' HA ' HD12 ' A' ' 29' ' ' ILE . . . -75.19 -34.73 61.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.084 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 66.6 m170 -64.14 -34.13 77.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.7 tp -78.67 -53.32 7.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.453 HD12 ' O ' ' A' ' 25' ' ' SER . 20.1 mt -45.53 -29.71 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.1 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -91.8 -35.66 13.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.689 ' O ' HG23 ' A' ' 34' ' ' ILE . 8.7 t60 -63.88 -45.96 87.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -52.94 -17.41 1.41 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -67.63 -28.95 68.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.689 HG23 ' O ' ' A' ' 31' ' ' HIS . 9.1 pt -59.41 -13.15 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.545 ' CE1' HD11 ' A' ' 34' ' ' ILE . 44.6 m-70 -112.07 -48.47 3.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.803 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 35' ' ' HIS . 63.2 p -35.97 117.52 0.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.112 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 162.5 -128.16 1.83 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.509 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -136.35 133.37 36.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.919 0.39 . . . . 0.0 110.878 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -158.43 151.45 18.5 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.547 0.689 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -37.13 9.69 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.655 2.237 . . . . 0.0 112.343 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.3 p -174.3 132.11 0.38 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -110.78 161.13 12.94 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 80.43 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.701 2.268 . . . . 0.0 112.317 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 36.6 m -132.69 79.34 1.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.4 m -161.69 178.57 8.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.873 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.165 -0.797 . . . . 0.0 112.467 179.99 . . . . . . . . 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 1.452 -0.285 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.9 m -113.28 -53.64 2.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.907 0.384 . . . . 0.0 110.867 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.6 t -57.44 109.64 0.72 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.82 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.11 130.73 10.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.5 m -115.67 -50.77 2.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.856 0.36 . . . . 0.0 110.839 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.0 t -67.97 171.41 6.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.87 37.89 0.71 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.7 m -160.03 134.17 7.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 0.0 111.146 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -141.5 118.65 1.37 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.525 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -124.06 -20.2 5.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.827 0.346 . . . . 0.0 110.894 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.6 mtt180 -152.13 143.96 16.3 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.599 0.714 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -3.89 12.92 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.653 2.235 . . . . 0.0 112.395 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 46.8 m80 -136.06 134.7 38.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.2 tttt -143.52 152.28 41.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.2 t -88.92 122.06 31.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.6 t30 -86.22 21.95 1.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.567 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 41.6 mm-40 -115.63 -56.25 2.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.3 p -113.17 -31.96 6.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.12 10.3 11.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.0 mmtt -70.57 134.91 48.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.8 0.333 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.5 p -115.26 151.47 34.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.446 ' CD2' ' HB3' ' A' ' 27' ' ' HIS . 22.6 m-85 -139.03 159.61 41.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 37.6 mt -75.05 -46.01 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -104.32 154.83 19.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 85.9 p -66.75 -44.38 81.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.27 -39.45 30.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.09 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.446 ' HB3' ' CD2' ' A' ' 22' ' ' PHE . 48.9 m170 -61.7 -45.07 95.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.1 tp -71.73 -56.51 5.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 26.4 mt -41.49 -32.21 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.418 ' NE2' ' HD2' ' A' ' 33' ' ' ARG . 18.5 mm-40 -84.48 -45.66 12.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.429 ' O ' HG23 ' A' ' 34' ' ' ILE . 21.0 t60 -54.77 -49.8 70.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -43.86 -22.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.418 ' HD2' ' NE2' ' A' ' 30' ' ' GLN . 81.6 mtp180 -61.4 -42.47 98.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.429 ' H ' HG23 ' A' ' 34' ' ' ILE . 7.4 pt -53.68 -17.09 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.567 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 82.7 m-70 -108.4 -41.46 4.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.95 48.87 0.87 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.14 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.18 164.91 0.18 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.462 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -134.23 148.66 50.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.964 0.411 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.477 ' CD ' ' HD2' ' A' ' 40' ' ' PRO . 11.2 tppt? -88.69 135.99 31.61 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.548 0.69 . . . . 0.0 110.913 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.477 ' HD2' ' CD ' ' A' ' 39' ' ' LYS . 53.9 Cg_endo -69.76 141.08 44.29 Favored 'Trans proline' 0 C--O 1.23 0.122 0 C-N-CA 122.68 2.254 . . . . 0.0 112.314 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 82.4 p -158.86 120.23 3.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.54 168.2 14.91 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.507 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 90.89 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.337 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 36.3 p -45.08 141.12 2.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.865 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.7 p -52.52 171.56 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.098 -0.834 . . . . 0.0 112.491 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.1 p -165.03 158.25 16.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.36 . . . . 0.0 110.91 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.9 p -156.18 143.26 18.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.6 151.14 5.58 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.8 m -161.0 168.05 25.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.35 . . . . 0.0 110.896 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.1 p -116.6 133.66 55.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.96 171.26 0.14 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.521 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.0 t -86.08 -13.85 46.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.86 0.362 . . . . 0.0 111.13 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.07 61.99 0.38 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -78.47 141.24 38.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.845 0.355 . . . . 0.0 110.861 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 60.0 mmt-85 -44.29 153.72 0.43 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.579 0.704 . . . . 0.0 110.881 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.535 ' O ' ' CD2' ' A' ' 13' ' ' HIS . 53.8 Cg_endo -69.77 2.85 3.16 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.702 2.268 . . . . 0.0 112.35 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.535 ' CD2' ' O ' ' A' ' 12' ' ' PRO . 20.1 m80 -153.72 121.09 5.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -131.04 145.48 52.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.3 t -79.56 153.42 29.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 -103.37 -36.52 7.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.574 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 26.8 mp0 -57.57 -66.53 0.45 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.8 p -98.84 -42.45 7.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.48 15.07 7.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -75.71 125.23 28.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.774 0.321 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.6 m -100.85 153.34 19.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 7.2 m-85 -131.85 178.57 6.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 70.4 mt -88.75 -44.54 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -113.05 142.64 45.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 91.3 p -53.97 -31.27 50.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.04 -40.14 88.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.085 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 30.9 m170 -62.32 -43.28 99.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.861 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 tp -72.04 -56.92 4.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.934 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.6 mt -43.89 -31.79 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -80.31 -36.67 33.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.501 ' O ' ' N ' ' A' ' 33' ' ' ARG . 75.9 t60 -63.97 -56.93 11.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 31' ' ' HIS . 54.9 mt-30 -36.96 -28.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 31' ' ' HIS . 62.4 mtp180 -66.2 -46.49 77.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 31' ' ' HIS . 1.3 pp -57.74 -16.78 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.098 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.574 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 17.1 m-70 -82.78 -40.9 19.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.575 ' O ' HG23 ' A' ' 36' ' ' THR . 15.2 t -125.78 117.2 22.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -170.93 -36.93 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.526 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.418 ' C ' ' HD3' ' A' ' 40' ' ' PRO . 29.7 mp0 -83.45 37.6 0.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.91 0.386 . . . . 0.0 110.869 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.5 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 0.0 OUTLIER 37.65 51.1 2.23 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.563 0.697 . . . . 0.0 110.875 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.8 Cg_endo -69.79 1.21 4.66 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.714 2.276 . . . . 0.0 112.356 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.9 p -129.8 135.56 48.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -42.7 166.13 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.517 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 175.62 7.86 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.71 2.273 . . . . 0.0 112.363 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.1 t -81.96 146.54 29.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.1 m -92.2 138.78 31.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.844 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.104 -0.831 . . . . 0.0 112.505 -179.976 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.2 p -57.05 151.43 15.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.817 0.341 . . . . 0.0 110.888 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.7 p -100.15 151.05 21.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.53 -133.99 4.9 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.453 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m -164.53 119.97 1.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.913 0.387 . . . . 0.0 110.857 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 m -86.15 93.54 9.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.801 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.03 -126.46 7.1 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.459 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 73.2 p 48.22 35.77 5.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.842 0.353 . . . . 0.0 111.144 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 137.73 38.04 0.14 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -86.96 138.21 31.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.823 0.344 . . . . 0.0 110.937 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.424 ' HD3' ' C ' ' A' ' 22' ' ' PHE . 42.0 mtt180 -132.52 143.79 50.25 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.612 0.72 . . . . 0.0 110.86 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -4.78 14.76 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.659 2.239 . . . . 0.0 112.303 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 43.7 m80 -137.3 123.92 21.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.5 tttt -137.4 130.36 30.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.9 t -59.63 118.86 6.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -91.91 21.39 4.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -111.48 -39.46 4.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.0 p -125.26 -40.58 2.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 132.83 -7.43 5.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.493 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.422 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -54.79 167.42 0.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.781 0.324 . . . . 0.0 110.922 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 m -144.98 149.87 35.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.424 ' C ' ' HD3' ' A' ' 11' ' ' ARG . 33.1 m-85 -140.56 164.4 30.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.6 mt -84.51 -54.48 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.133 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -97.3 141.82 29.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 83.5 p -53.34 -49.23 67.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.55 -44.11 12.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.094 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 46.0 m170 -56.36 -51.57 67.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 31' ' ' HIS . 63.6 tp -65.62 -54.99 20.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.1 mt -40.57 -33.04 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -81.82 -34.43 30.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.629 ' O ' HG23 ' A' ' 34' ' ' ILE . 22.1 t60 -71.8 -48.16 48.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -48.17 -28.35 2.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 67.7 mtm180 -54.78 -39.89 68.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.629 HG23 ' O ' ' A' ' 31' ' ' HIS . 4.4 pt -55.09 -18.88 3.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.156 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.52 ' NE2' HD11 ' A' ' 34' ' ' ILE . 83.0 m-70 -109.4 -35.05 6.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.843 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.66 53.34 2.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -94.69 -74.35 1.24 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.463 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -90.46 138.11 31.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.925 0.393 . . . . 0.0 110.893 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -71.11 152.11 94.72 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.577 0.704 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.8 165.25 31.65 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.695 2.263 . . . . 0.0 112.293 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.2 p -93.51 146.65 23.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 177.65 -159.47 25.42 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.52 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 126.13 12.94 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.633 2.222 . . . . 0.0 112.324 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.7 m -86.9 -52.72 5.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.2 m -78.04 128.4 33.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.479 -179.997 . . . . . . . . 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 -0.366 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.2 m 44.11 42.47 4.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.915 0.388 . . . . 0.0 110.899 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.3 t -76.37 128.92 35.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.06 73.56 0.21 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.555 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.6 m -101.09 109.12 20.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.826 0.346 . . . . 0.0 110.887 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -94.2 99.77 11.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.69 123.47 0.72 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.487 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 85.2 m -127.79 -51.15 1.35 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.816 0.341 . . . . 0.0 111.097 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.31 149.75 21.58 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.493 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.73 147.32 24.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.821 0.343 . . . . 0.0 110.929 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -106.02 153.67 40.04 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.597 0.713 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 2.79 3.2 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.695 2.264 . . . . 0.0 112.36 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.3 m80 -141.83 110.24 6.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.6 tttt -127.82 142.54 51.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.426 ' HA ' HD11 ' A' ' 28' ' ' LEU . 44.0 t -75.46 135.35 40.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 -97.71 20.99 11.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.521 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 27.0 mm-40 -118.89 -52.13 2.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.1 p -109.38 -43.5 4.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.1 15.57 4.66 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.464 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -80.17 131.71 35.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.811 0.338 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 72.7 p -106.11 149.72 26.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.836 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -133.15 167.31 20.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.6 mt -86.19 -44.89 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -106.82 138.42 43.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 98.4 p -51.38 -52.18 48.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -41.55 -43.66 2.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 54.6 m170 -57.87 -49.28 77.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.426 HD11 ' HA ' ' A' ' 15' ' ' CYS . 58.1 tp -68.99 -56.62 7.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 83.1 mt -41.85 -34.35 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -85.2 -43.89 13.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.649 ' O ' HG23 ' A' ' 34' ' ' ILE . 13.0 t60 -55.96 -43.73 77.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.833 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.575 ' O ' HG23 ' A' ' 36' ' ' THR . 73.8 mt-30 -50.25 -19.59 0.84 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 56.2 mtp85 -65.38 -33.83 76.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.649 HG23 ' O ' ' A' ' 31' ' ' HIS . 8.0 pt -55.4 -15.03 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.092 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.521 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 75.0 m-70 -112.39 -39.39 4.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 32' ' ' GLN . 73.6 p -41.79 -31.61 0.33 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.18 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -120.15 88.41 0.43 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.491 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -101.35 164.3 11.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.93 0.395 . . . . 0.0 110.844 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -71.61 133.21 84.85 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.574 0.702 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -32.71 18.03 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.714 2.276 . . . . 0.0 112.323 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.4 p -78.12 143.89 36.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 143.42 -72.59 0.37 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 172.66 12.25 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.651 2.234 . . . . 0.0 112.355 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.2 t 63.04 42.0 7.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 m -83.66 -51.37 7.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.844 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.183 -0.787 . . . . 0.0 112.505 -179.975 . . . . . . . . 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 -0.33 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.7 t -130.46 -43.95 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.826 0.346 . . . . 0.0 110.849 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.9 t -68.58 107.24 2.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.7 136.98 13.19 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.437 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 t -79.22 159.3 27.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.858 0.361 . . . . 0.0 110.88 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -108.52 -63.3 1.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 57.56 46.69 91.76 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.456 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.9 m -97.78 141.97 30.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.884 0.373 . . . . 0.0 111.135 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.28 139.01 14.99 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.524 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -81.22 89.77 6.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.884 0.373 . . . . 0.0 110.952 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -137.4 156.13 75.25 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.598 0.713 . . . . 0.0 110.876 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.449 ' O ' ' CD2' ' A' ' 13' ' ' HIS . 53.5 Cg_endo -69.78 2.2 3.76 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.687 2.258 . . . . 0.0 112.358 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.449 ' CD2' ' O ' ' A' ' 12' ' ' PRO . 6.5 m80 -150.7 127.42 10.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.5 tttt -138.73 138.36 37.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.5 t -70.72 124.83 25.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -87.57 22.01 2.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.405 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 10.4 mm-40 -119.14 -60.29 1.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -96.22 -41.88 8.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.73 14.37 6.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.5 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.4 mttm -75.06 174.16 9.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.754 0.312 . . . . 0.0 110.936 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.9 p -143.37 144.03 31.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -127.34 169.1 13.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 33.3 mt -84.55 -40.55 15.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.153 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -116.55 150.41 38.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.955 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.5 p -61.98 -33.5 74.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.28 -44.41 92.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.09 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 41.1 m170 -61.08 -37.23 81.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.843 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.405 HD22 ' HB3' ' A' ' 13' ' ' HIS . 51.3 tp -73.34 -50.11 23.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 39.3 mt -52.26 -28.45 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.172 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -86.38 -19.54 29.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.942 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.506 ' O ' ' N ' ' A' ' 33' ' ' ARG . 56.6 t60 -85.5 -65.52 1.0 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 31' ' ' HIS . 82.7 mt-30 -34.95 -31.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 31' ' ' HIS . 42.8 mtt180 -53.01 -49.59 65.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.436 HG13 ' N ' ' A' ' 35' ' ' HIS . 4.3 pt -44.83 -21.91 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.099 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.436 ' N ' HG13 ' A' ' 34' ' ' ILE . 96.4 m-70 -91.82 -58.19 2.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.464 ' O ' HG23 ' A' ' 36' ' ' THR . 15.3 t -87.63 42.61 1.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -82.89 -93.14 0.6 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.513 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -52.21 156.2 1.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.92 0.39 . . . . 0.0 110.873 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.61 80.83 1.0 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.572 0.701 . . . . 0.0 110.902 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 112.79 3.18 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.702 2.268 . . . . 0.0 112.363 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.5 m -142.45 136.41 29.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -147.12 -90.62 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.487 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -16.4 37.5 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.646 2.23 . . . . 0.0 112.353 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.4 t -106.98 115.22 29.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.5 m -108.01 -55.59 2.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.847 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.493 179.99 . . . . . . . . 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 1.451 -0.315 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.5 p -87.75 42.44 1.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 0.0 110.813 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.9 p -171.66 126.65 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.812 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.67 87.43 1.06 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.485 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.3 p -134.62 102.82 5.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.825 0.345 . . . . 0.0 110.879 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.9 p -170.28 149.52 3.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.49 97.19 0.11 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.486 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.6 m -71.35 92.55 1.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.834 0.349 . . . . 0.0 111.12 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 160.08 72.47 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.457 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -105.87 126.83 52.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.882 0.372 . . . . 0.0 110.853 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -65.45 152.41 92.32 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.6 0.714 . . . . 0.0 110.876 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 2.62 3.39 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.686 2.257 . . . . 0.0 112.348 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 30.1 m80 -146.04 111.74 5.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.0 tttm -127.92 144.04 51.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.9 t -81.61 124.21 29.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -88.23 21.98 2.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -118.6 -53.76 2.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.9 p -105.15 -46.75 4.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.73 21.4 3.58 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.539 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.3 mttp -90.96 126.94 36.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.793 0.33 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 79.2 p -100.43 142.65 31.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.823 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -123.71 171.29 9.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.425 HD12 ' N ' ' A' ' 23' ' ' ILE . 5.1 mp -89.72 -54.93 6.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -101.64 135.63 42.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 82.5 p -47.4 -44.38 24.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.04 -40.23 30.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.127 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 50.9 m170 -60.43 -51.66 68.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.9 tp -64.25 -52.02 60.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 73.5 mt -49.11 -31.0 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 55.5 mm-40 -86.24 -21.57 27.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.511 ' O ' ' N ' ' A' ' 33' ' ' ARG . 35.5 t60 -83.32 -62.2 1.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 31' ' ' HIS . 48.3 mt-30 -35.99 -29.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 31' ' ' HIS . 63.6 mtt-85 -54.76 -48.91 72.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.461 HG13 ' N ' ' A' ' 35' ' ' HIS . 4.2 pt -44.75 -22.76 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.174 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.461 ' N ' HG13 ' A' ' 34' ' ' ILE . 87.9 m-70 -87.71 -74.97 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.1 t -43.93 -39.89 4.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 41.91 -165.03 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.553 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -107.19 106.25 16.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.925 0.393 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.2 mttp -106.0 156.88 35.98 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.608 0.718 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -15.9 37.32 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.726 2.284 . . . . 0.0 112.312 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.1 m -44.75 162.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.854 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -114.04 65.1 0.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.545 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -178.96 2.6 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.717 2.278 . . . . 0.0 112.328 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 79.4 p -89.53 29.16 1.16 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 94.5 p -82.62 -46.88 12.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.844 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.466 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.6 p -138.89 172.78 12.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.906 0.384 . . . . 0.0 110.862 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.4 p -154.62 169.63 23.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 151.63 -119.36 0.98 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 4' ' ' GLY . 58.4 p 35.27 40.71 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.853 0.359 . . . . 0.0 110.887 -179.717 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.4 p -125.24 154.41 41.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.39 53.19 0.13 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.0 t -154.95 142.66 19.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.881 0.372 . . . . 0.0 111.108 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 154.05 60.34 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.427 ' H ' ' CD ' ' A' ' 10' ' ' GLU . 1.0 OUTLIER -76.25 133.48 40.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 0.0 110.863 -179.856 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.43 ' HD3' ' C ' ' A' ' 22' ' ' PHE . 95.6 mtt180 -124.53 147.21 54.85 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.594 0.711 . . . . 0.0 110.861 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 2.83 3.18 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.651 2.234 . . . . 0.0 112.34 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.421 ' HB3' HD22 ' A' ' 28' ' ' LEU . 37.3 m80 -145.15 124.26 12.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.859 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.6 tttt -139.47 140.5 37.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.7 t -80.22 159.66 25.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -108.91 -40.41 5.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.547 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 14.7 mm-40 -53.41 -55.58 23.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.8 p -109.37 -42.63 4.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.59 17.7 6.9 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.471 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.7 mttm -78.85 127.82 32.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.775 0.321 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.2 m -106.72 154.51 20.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.465 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 2.9 m-85 -135.82 173.98 11.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.3 mt -84.37 -56.21 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.147 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -99.01 140.52 33.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 74.1 p -52.43 -39.34 60.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.78 -40.53 66.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.117 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 37.5 m170 -61.65 -43.54 98.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.421 HD22 ' HB3' ' A' ' 13' ' ' HIS . 58.1 tp -71.96 -57.89 3.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 73.2 mt -40.57 -34.51 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -81.25 -39.72 24.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.514 ' O ' ' N ' ' A' ' 33' ' ' ARG . 15.9 t60 -61.23 -64.37 0.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 31' ' ' HIS . 57.2 mt-30 -35.79 -29.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.514 ' N ' ' O ' ' A' ' 31' ' ' HIS . 14.3 mmm180 -54.25 -49.07 70.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.475 HG13 ' N ' ' A' ' 35' ' ' HIS . 4.3 pt -44.7 -23.47 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.147 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.547 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 56.4 m-70 -82.02 -64.14 1.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.822 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 33' ' ' ARG . 15.1 t -80.83 168.33 18.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 116.82 -142.84 17.76 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.424 ' C ' ' HD3' ' A' ' 40' ' ' PRO . 13.2 pt-20 -96.76 150.27 20.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.905 0.383 . . . . 0.0 110.869 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.536 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 14.8 ttpp 43.0 48.28 3.63 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.597 0.713 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 54.0 Cg_endo -69.75 133.42 25.54 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.685 2.257 . . . . 0.0 112.323 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.5 t -64.66 159.01 22.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.823 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.76 -176.45 46.98 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -21.87 33.02 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.677 2.251 . . . . 0.0 112.359 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 71.5 p -116.9 92.43 3.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.6 m -81.11 45.14 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.175 -0.792 . . . . 0.0 112.501 -179.971 . . . . . . . . 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 1.45 -0.377 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -102.2 137.17 40.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.898 0.38 . . . . 0.0 110.87 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.8 p -62.18 168.45 3.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.83 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.7 41.75 2.1 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.443 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.2 t -75.61 -51.75 12.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.917 0.389 . . . . 0.0 110.882 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.0 p -50.87 174.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.28 57.85 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.51 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 70.9 p -104.54 42.85 1.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.882 0.372 . . . . 0.0 111.211 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.83 161.0 28.72 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -110.35 144.66 38.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.887 0.375 . . . . 0.0 110.837 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 57.5 mtt-85 -88.46 154.85 51.37 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.656 0.741 . . . . 0.0 110.849 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 1.93 3.99 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.717 2.278 . . . . 0.0 112.348 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.758 ' HB3' HD22 ' A' ' 28' ' ' LEU . 24.3 m80 -144.05 131.18 20.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -141.1 149.12 41.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 19' ' ' GLY . 24.5 t -101.22 84.33 2.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -45.06 -31.45 1.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -51.23 -63.53 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.8 p -107.53 -40.14 5.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 122.09 15.03 4.38 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.7 mmtt -79.05 137.11 37.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 89.0 p -116.89 155.67 28.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -140.64 173.61 11.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.5 mp -90.09 -54.3 7.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -101.4 157.27 16.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 72.3 m -61.46 -50.85 71.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.67 -43.43 8.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.081 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 57.1 m170 -58.25 -49.21 77.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.758 HD22 ' HB3' ' A' ' 13' ' ' HIS . 66.4 tp -67.91 -56.57 8.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 56.8 mt -42.09 -33.76 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -79.51 -31.75 42.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.952 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.519 ' O ' ' N ' ' A' ' 33' ' ' ARG . 41.7 t60 -73.38 -60.86 2.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 31' ' ' HIS . 67.4 mt-30 -35.5 -30.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 31' ' ' HIS . 54.7 mtp180 -54.3 -49.25 70.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.756 HD11 ' NE2' ' A' ' 35' ' ' HIS . 4.3 pt -44.93 -21.45 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.1 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.756 ' NE2' HD11 ' A' ' 34' ' ' ILE . 75.9 m-70 -106.56 -40.93 5.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.54 60.3 4.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.53 91.54 0.93 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.46 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.431 ' C ' ' HD3' ' A' ' 40' ' ' PRO . 7.7 tt0 -126.52 36.48 4.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.914 0.388 . . . . 0.0 110.876 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.566 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 0.6 OUTLIER 44.98 47.32 3.66 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.564 0.697 . . . . 0.0 110.875 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.566 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.8 Cg_endo -69.73 -174.24 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.702 2.268 . . . . 0.0 112.37 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.4 p -114.44 75.42 0.93 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.17 80.35 1.04 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.471 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.67 -17.38 38.0 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.707 2.271 . . . . 0.0 112.329 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.3 m -84.91 87.09 7.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.821 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.8 t -87.72 -45.15 10.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.907 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.107 -0.829 . . . . 0.0 112.519 -179.982 . . . . . . . . 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 -0.317 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.3 p -171.15 169.18 6.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.845 0.355 . . . . 0.0 110.872 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.4 p -174.48 121.03 0.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.815 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.3 148.92 8.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.525 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.4 p -117.91 167.52 11.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.874 0.369 . . . . 0.0 110.874 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.2 p -125.47 112.39 16.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.62 163.03 30.08 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.464 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.2 p -49.27 123.96 8.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.837 0.351 . . . . 0.0 111.114 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 164.32 97.33 0.12 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.474 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -141.21 148.6 40.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.836 0.351 . . . . 0.0 110.867 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -54.25 153.61 9.36 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.613 0.721 . . . . 0.0 110.863 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 1.81 4.09 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.711 2.274 . . . . 0.0 112.321 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.416 ' HB3' HD22 ' A' ' 28' ' ' LEU . 69.4 m-70 -149.29 109.88 4.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.446 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 30.2 tttt -123.27 145.72 48.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.446 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 42.3 t -83.87 158.6 21.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -108.1 -33.25 7.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.942 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.455 ' HG3' ' CB ' ' A' ' 35' ' ' HIS . 44.7 mm-40 -59.13 -68.22 0.29 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -93.14 -42.29 9.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.96 17.73 7.2 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -86.61 141.13 29.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.812 0.339 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 m -114.94 162.2 17.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.508 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 11.6 m-85 -138.49 169.94 16.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 57.5 mt -75.02 -60.47 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.116 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -102.0 153.71 19.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.925 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 64.0 p -56.88 -49.03 76.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.84 -41.4 5.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 53.9 m170 -61.65 -43.27 99.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 31' ' ' HIS . 42.4 tp -73.11 -56.1 5.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.1 mt -40.99 -33.88 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.1 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -85.9 -31.1 22.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.653 ' O ' HG23 ' A' ' 34' ' ' ILE . 10.9 t60 -71.17 -50.42 33.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.628 ' O ' HG23 ' A' ' 36' ' ' THR . 95.4 mt-30 -49.29 -19.64 0.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 51.8 mtt180 -64.91 -35.1 80.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.726 HD11 ' CE1' ' A' ' 35' ' ' HIS . 10.8 pt -52.39 -15.72 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.726 ' CE1' HD11 ' A' ' 34' ' ' ILE . 28.0 m-70 -111.35 -34.71 6.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.834 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.628 HG23 ' O ' ' A' ' 32' ' ' GLN . 38.8 p -54.95 154.39 5.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.154 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.8 -89.34 1.6 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.447 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -58.82 134.3 56.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.932 0.396 . . . . 0.0 110.894 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.5 tttp -114.88 130.4 24.21 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.578 0.704 . . . . 0.0 110.928 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 154.88 67.52 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.716 2.277 . . . . 0.0 112.367 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.7 p -95.1 159.44 15.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 169.77 -95.03 0.11 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.466 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -177.09 1.7 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.657 2.238 . . . . 0.0 112.331 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 t -89.47 -58.96 2.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 t -167.14 172.55 9.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.45 -179.971 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.3 m -141.0 165.25 28.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.913 0.387 . . . . 0.0 110.856 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.6 m -135.51 166.27 23.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.889 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.31 125.03 6.34 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.463 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.6 p -128.8 132.72 47.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 110.869 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.1 m -119.73 134.83 55.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.799 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.63 102.18 1.27 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.513 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.2 p -126.87 6.66 6.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.859 0.361 . . . . 0.0 111.154 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.89 -168.76 39.67 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.532 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -120.37 95.28 4.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.845 0.355 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.408 ' HD3' ' C ' ' A' ' 22' ' ' PHE . 53.4 mtt180 -52.81 158.54 2.17 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.575 0.702 . . . . 0.0 110.865 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.433 ' HG2' ' CE1' ' A' ' 13' ' ' HIS . 53.4 Cg_endo -69.81 2.1 3.86 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.619 2.213 . . . . 0.0 112.328 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.433 ' CE1' ' HG2' ' A' ' 12' ' ' PRO . 10.9 m80 -138.73 118.14 12.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -136.9 141.27 42.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.5 t -79.04 153.28 30.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -99.89 -30.44 12.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.533 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 0.7 OUTLIER -64.61 -63.69 1.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.3 p -98.4 -48.49 5.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.63 16.66 4.97 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.45 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.6 mttm -73.13 133.56 44.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.75 0.309 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.8 p -102.83 150.15 23.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.826 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.408 ' C ' ' HD3' ' A' ' 11' ' ' ARG . 32.4 m-85 -134.94 161.35 35.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.3 mt -77.48 -43.04 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.42 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 92.3 mt-30 -112.34 143.67 43.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 72.2 p -56.31 -49.96 72.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.73 -47.16 7.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.112 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.42 ' CE1' ' HB2' ' A' ' 24' ' ' GLN . 29.9 m170 -56.85 -43.63 81.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.2 tp -68.75 -49.97 54.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 15.8 mt -56.12 -27.76 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -88.03 -14.31 39.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.477 ' O ' ' N ' ' A' ' 33' ' ' ARG . 24.2 t60 -87.97 -54.07 4.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -40.6 -24.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 31' ' ' HIS . 17.7 mtp85 -59.86 -44.8 93.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.813 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.406 HG12 ' O ' ' A' ' 31' ' ' HIS . 8.7 pt -48.83 -18.47 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.533 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 84.8 m-70 -91.37 -68.01 0.82 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.413 ' O ' HG23 ' A' ' 36' ' ' THR . 10.0 t -63.46 124.58 21.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 38' ' ' GLU . . . -140.78 164.31 26.41 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.427 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 37' ' ' GLY . 16.3 mt-10 -37.17 118.54 0.62 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.973 0.416 . . . . 0.0 110.888 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.65 141.17 65.44 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.617 0.722 . . . . 0.0 110.856 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -50.77 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.72 2.28 . . . . 0.0 112.349 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.5 t -99.87 90.98 4.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 169.06 85.49 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.487 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 98.56 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.676 2.251 . . . . 0.0 112.392 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.6 m -50.4 122.28 6.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 t 45.29 44.24 8.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.073 -0.848 . . . . 0.0 112.509 -179.983 . . . . . . . . 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 1.452 -0.298 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -168.54 119.8 0.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.903 0.382 . . . . 0.0 110.86 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.1 p -65.16 152.54 43.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.83 51.98 0.68 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.461 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -107.21 97.7 7.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 0.0 110.872 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.2 t -154.74 139.22 16.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.66 107.72 0.31 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.495 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.0 m -39.43 -61.5 0.79 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.789 0.328 . . . . 0.0 111.17 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.27 90.07 2.1 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.476 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -127.48 158.38 37.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.808 0.337 . . . . 0.0 110.89 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -115.77 146.67 37.34 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.609 0.719 . . . . 0.0 110.843 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.485 ' HG2' ' CD2' ' A' ' 13' ' ' HIS . 53.6 Cg_endo -69.75 -4.5 14.15 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.648 2.232 . . . . 0.0 112.363 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.569 ' CE1' ' HB2' ' A' ' 25' ' ' SER . 11.8 m-70 -122.49 131.99 54.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -141.79 145.28 34.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.4 t -85.1 161.34 19.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -107.71 -39.09 5.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.558 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 2.1 mp0 -58.18 -56.23 24.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -103.83 -45.84 4.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.03 20.92 6.53 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.445 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -81.85 139.59 34.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.821 0.343 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 87.8 p -106.95 143.53 34.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.833 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -125.33 145.31 50.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.761 ' H ' HD12 ' A' ' 23' ' ' ILE . 5.0 mp -56.39 -50.24 73.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.103 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.449 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 72.1 mt-30 -111.98 145.3 39.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.569 ' HB2' ' CE1' ' A' ' 13' ' ' HIS . 15.3 t -55.59 -53.56 54.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.817 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.492 ' O ' ' NE2' ' A' ' 30' ' ' GLN . . . -38.82 -41.95 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.055 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' A' ' 24' ' ' GLN . 22.7 m170 -62.17 -41.33 98.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 25' ' ' SER . 59.7 tp -70.13 -55.65 8.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 78.1 mt -44.95 -32.8 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.115 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.492 ' NE2' ' O ' ' A' ' 26' ' ' ALA . 2.4 mp0 -84.83 -29.55 25.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.519 ' O ' ' N ' ' A' ' 33' ' ' ARG . 22.3 t60 -72.89 -57.85 3.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 31' ' ' HIS . 79.9 mt-30 -37.79 -26.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.952 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 31' ' ' HIS . 15.2 mtp-105 -57.92 -47.66 82.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.436 HG13 ' N ' ' A' ' 35' ' ' HIS . 4.2 pt -44.57 -21.43 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.558 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 91.6 m-70 -88.68 -58.34 2.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.843 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.721 ' O ' HG23 ' A' ' 36' ' ' THR . 9.0 t -84.95 85.4 7.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.122 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -167.73 -87.68 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.433 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -83.06 111.07 18.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.941 0.401 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -135.8 143.94 46.68 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.572 0.701 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -20.22 35.09 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.664 2.242 . . . . 0.0 112.38 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.2 m 40.81 41.57 1.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 63.98 175.78 3.98 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.453 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -178.29 2.28 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.71 2.273 . . . . 0.0 112.317 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 m -127.33 41.91 3.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.8 m -113.05 81.32 1.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.451 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.9 t -159.4 112.67 2.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.864 0.364 . . . . 0.0 110.872 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -174.85 133.36 0.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.822 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.94 78.47 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.447 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.2 t -173.63 112.57 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 110.84 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.2 m -78.07 -49.23 14.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.845 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.73 124.11 2.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.7 p -77.6 122.25 25.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.815 0.341 . . . . 0.0 111.162 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.32 -47.21 72.88 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.467 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 70.72 38.36 1.25 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.808 0.337 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.2 mtt180 -145.27 143.82 21.45 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.621 0.724 . . . . 0.0 110.841 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -0.46 6.96 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.617 2.211 . . . . 0.0 112.334 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 14.3 m80 -135.53 109.41 8.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.84 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -124.51 138.04 54.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.2 t -76.67 124.34 27.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -91.19 12.94 18.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -105.03 -40.1 6.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.1 p -126.66 -39.86 1.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.65 13.45 5.14 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.516 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -87.42 126.86 35.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.776 0.322 . . . . 0.0 110.935 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.484 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 4.2 m -109.56 162.44 14.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.484 ' CD1' ' C ' ' A' ' 21' ' ' SER . 2.8 m-85 -141.13 152.7 44.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 17.3 mt -59.61 -53.1 53.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -105.42 154.57 20.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 28' ' ' LEU . 26.6 t -61.34 -53.65 53.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -39.34 -43.19 1.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.142 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 61.8 m170 -60.43 -38.93 85.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.824 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 25' ' ' SER . 59.3 tp -76.94 -55.64 5.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 90.1 mt -39.9 -33.76 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.103 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -80.57 -42.65 21.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.509 ' O ' ' N ' ' A' ' 33' ' ' ARG . 47.2 t60 -61.65 -55.04 34.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -38.71 -25.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.509 ' N ' ' O ' ' A' ' 31' ' ' HIS . 71.2 mtp180 -58.9 -46.65 87.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.722 HD11 ' NE2' ' A' ' 35' ' ' HIS . 3.8 pt -50.24 -17.32 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.722 ' NE2' HD11 ' A' ' 34' ' ' ILE . 82.8 m-70 -110.97 -35.72 5.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.4 p -91.23 130.03 37.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 128.12 124.22 2.66 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.482 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 72.91 35.73 0.96 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.948 0.404 . . . . 0.0 110.923 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -117.22 143.58 32.12 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.608 0.718 . . . . 0.0 110.924 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -7.95 22.37 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.683 2.255 . . . . 0.0 112.356 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.1 t -116.56 151.26 36.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 61.74 143.39 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.444 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 139.61 40.5 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.673 2.249 . . . . 0.0 112.312 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.8 t -51.63 -44.8 63.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 34.9 t -73.81 131.31 41.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.848 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.516 -179.996 . . . . . . . . 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 1.452 -0.284 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t 43.65 42.27 4.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.853 0.358 . . . . 0.0 110.81 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.8 p -60.4 108.46 0.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.36 41.22 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.532 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.9 m -87.37 172.77 9.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.88 0.372 . . . . 0.0 110.853 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.7 m -97.82 87.36 4.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.825 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.29 114.36 0.72 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.509 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.1 m -126.27 116.15 20.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.846 0.355 . . . . 0.0 111.158 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -150.99 112.55 0.54 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.515 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -63.72 113.19 3.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.893 0.378 . . . . 0.0 110.85 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.9 mmm180 -79.76 153.41 75.53 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.625 0.726 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 2.92 3.11 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.683 2.256 . . . . 0.0 112.323 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 30.4 m80 -150.18 108.11 3.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.455 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 27.5 tttt -122.42 144.67 48.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.455 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 48.5 t -83.42 162.65 20.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -113.12 -37.66 4.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.573 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 53.4 mm-40 -56.92 -57.68 11.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -105.03 -43.26 5.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.57 17.43 6.54 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.511 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -81.61 138.87 35.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.811 0.339 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.3 m -112.3 159.61 18.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -137.86 -179.91 6.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.464 HD12 ' N ' ' A' ' 23' ' ' ILE . 4.5 mp -89.36 -49.52 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -107.22 166.35 10.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 85.3 p -74.3 -34.73 63.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.37 -36.41 77.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.092 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -63.21 -47.34 82.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.6 tp -71.07 -49.93 39.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 57.7 mt -48.15 -31.2 2.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -87.47 -20.4 26.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.526 ' O ' ' N ' ' A' ' 33' ' ' ARG . 25.0 t60 -82.43 -60.37 2.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 31' ' ' HIS . 83.9 mt-30 -37.14 -27.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 31' ' ' HIS . 42.2 mtp180 -56.92 -47.98 79.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.857 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.478 HD11 ' CE1' ' A' ' 35' ' ' HIS . 4.1 pt -45.06 -21.35 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.573 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 67.9 m-70 -93.54 -42.19 9.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.4 t -125.47 121.0 32.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.136 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 156.97 -53.86 0.4 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.429 ' C ' ' HD3' ' A' ' 40' ' ' PRO . 12.5 mt-10 -109.09 132.32 54.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.942 0.401 . . . . 0.0 110.903 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.58 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 15.6 mmmt 47.43 46.1 3.26 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.605 0.716 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.6 Cg_endo -69.81 141.03 43.93 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.66 2.24 . . . . 0.0 112.339 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.1 t -66.63 152.69 44.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -142.9 -98.16 0.28 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.537 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -14.49 36.28 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.682 2.254 . . . . 0.0 112.345 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 79.7 p -71.5 87.12 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.807 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.3 t -170.8 123.9 0.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 CA-C-O 119.18 -0.789 . . . . 0.0 112.48 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.6 0.714 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.429 ' HG2' ' CD2' ' A' ' 13' ' ' HIS . 53.5 Cg_endo -69.75 -3.41 11.96 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.706 2.27 . . . . 0.0 112.353 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.429 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 68.3 m-70 -128.81 131.18 47.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.47 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 0.6 OUTLIER -141.18 144.8 34.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.47 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 12.2 t -74.6 136.72 42.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.4 m-20 -92.37 -6.97 49.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.586 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 18.0 mm-40 -84.71 -53.24 5.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.0 p -108.54 -49.36 3.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 130.26 1.92 5.15 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.498 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.48 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 20.9 mtpp -59.52 176.11 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.762 0.315 . . . . 0.0 110.89 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.9 p -144.27 153.03 41.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -141.35 151.14 43.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.7 mt -63.3 -51.1 75.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -106.83 153.63 22.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.8 p -62.45 -54.18 43.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.25 -33.9 0.69 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.097 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 58.5 m170 -66.3 -44.23 84.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.454 HD11 ' HA ' ' A' ' 15' ' ' CYS . 42.6 tp -73.21 -54.55 8.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 40.4 mt -43.39 -31.72 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.172 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -82.44 -39.07 23.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.934 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.488 ' CE1' HD11 ' A' ' 34' ' ' ILE . 17.2 t60 -62.47 -54.45 39.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -38.99 -26.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 31' ' ' HIS . 67.9 mtm180 -58.3 -46.98 85.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.488 HD11 ' CE1' ' A' ' 31' ' ' HIS . 9.9 pt -45.54 -24.01 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.586 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 93.3 m-70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.469 ' N ' ' HD2' ' A' ' 11' ' ' ARG . 3.0 mpt_? . . . . . 0 C--O 1.231 0.086 0 CA-C-O 121.64 0.733 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -3.9 12.94 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.648 2.232 . . . . 0.0 112.371 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.445 ' HB3' HD22 ' A' ' 28' ' ' LEU . 75.1 m-70 -117.07 102.16 9.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -113.69 126.77 55.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.43 ' HA ' HD11 ' A' ' 28' ' ' LEU . 48.5 t -61.58 122.57 15.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -87.29 22.27 2.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.492 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 42.2 mm-40 -119.27 -38.72 2.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.845 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.2 p -129.28 -41.64 1.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 132.14 -21.97 4.3 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.475 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.1 mtpt -54.8 130.93 42.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.815 0.34 . . . . 0.0 110.859 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.0 p -112.41 164.44 13.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -141.61 155.85 45.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.437 HD11 ' NH2' ' A' ' 11' ' ' ARG . 4.9 mp -71.54 -47.25 59.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -97.89 141.65 30.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.3 p -61.12 -34.92 75.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.78 -34.18 74.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.098 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 54.6 m170 -65.9 -40.27 91.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.445 HD22 ' HB3' ' A' ' 13' ' ' HIS . 61.9 tp -75.4 -58.28 3.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.7 mt -38.48 -35.41 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -81.35 -41.86 21.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.465 ' O ' HG23 ' A' ' 34' ' ' ILE . 33.1 t60 -61.18 -52.87 63.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -46.02 -21.09 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.405 ' N ' ' C ' ' A' ' 31' ' ' HIS . 20.9 mmm180 -62.99 -40.95 99.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.465 HG23 ' O ' ' A' ' 31' ' ' HIS . 7.0 pt -53.53 -16.99 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.492 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 74.2 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.449 ' N ' ' HD2' ' A' ' 11' ' ' ARG . 5.6 mpt_? . . . . . 0 C--O 1.231 0.097 0 CA-C-O 121.614 0.721 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.537 ' HG2' ' CD2' ' A' ' 13' ' ' HIS . 53.9 Cg_endo -69.75 -3.6 12.34 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.319 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.537 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 37.3 m-70 -127.18 110.82 13.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.879 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.7 tttt -123.74 135.98 54.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.9 t -64.78 131.05 45.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 60.0 m-20 -95.75 20.71 9.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.441 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 12.4 mm-40 -119.41 -38.9 2.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.1 p -125.23 -46.54 1.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 135.69 -24.74 3.3 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.487 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -50.99 132.43 27.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.833 0.349 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.469 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 78.2 p -110.84 163.06 14.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.469 ' CD1' ' C ' ' A' ' 21' ' ' SER . 4.6 m-85 -140.27 163.03 33.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.3 mt -79.55 -50.23 18.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.53 HE21 ' CE1' ' A' ' 27' ' ' HIS . 25.7 mt-30 -100.32 130.88 46.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 71.4 p -47.92 -46.7 32.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.81 -44.48 39.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.09 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.53 ' CE1' HE21 ' A' ' 24' ' ' GLN . 58.7 m170 -56.26 -49.36 74.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 31' ' ' HIS . 56.4 tp -67.33 -56.67 8.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.4 mt -39.96 -34.4 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -83.9 -33.17 24.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.778 ' O ' HG23 ' A' ' 34' ' ' ILE . 17.0 t60 -69.5 -38.92 77.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -56.77 -14.21 3.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -74.05 -12.95 60.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.778 HG23 ' O ' ' A' ' 31' ' ' HIS . 11.3 pt -73.53 -13.83 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.165 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.441 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 50.4 m-70 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.819 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.9 mtt85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.621 0.725 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 2.63 3.34 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.696 2.264 . . . . 0.0 112.375 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.498 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 77.7 m-70 -137.66 131.69 31.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.8 ttpt -143.1 124.96 15.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.6 t -55.49 131.68 46.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 -91.14 21.9 4.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -117.35 -63.95 1.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.823 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.2 p -95.6 -38.97 10.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.04 13.26 7.2 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.466 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.538 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 25.6 mttm -72.92 173.25 9.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.777 0.322 . . . . 0.0 110.925 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 89.0 p -144.96 152.23 39.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -137.31 161.65 35.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 69.3 mt -68.91 -61.34 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -100.79 158.47 15.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.498 ' HB3' ' CE1' ' A' ' 13' ' ' HIS . 69.7 p -62.38 -44.67 95.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.92 -41.48 24.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.103 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 54.2 m170 -59.74 -50.41 73.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 31' ' ' HIS . 52.6 tp -64.26 -56.16 16.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 81.9 mt -42.48 -33.25 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.12 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -81.02 -32.26 34.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.958 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.538 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 12.4 t60 -72.85 -51.28 19.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -43.19 -22.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 31' ' ' HIS . 70.1 mtt-85 -61.41 -43.03 99.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.463 HD11 ' CE1' ' A' ' 31' ' ' HIS . 6.8 pt -53.84 -14.72 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 179.915 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.636 0.732 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -3.92 12.98 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.691 2.261 . . . . 0.0 112.323 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.57 ' HB3' HD22 ' A' ' 28' ' ' LEU . 57.0 m-70 -122.06 115.73 23.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.3 tttt -129.82 136.96 50.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.9 t -73.93 128.18 34.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -91.7 22.77 3.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.491 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 6.3 mm-40 -118.28 -46.15 2.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.5 p -116.92 -43.81 2.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.71 20.32 3.2 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.495 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.3 mtpt -93.34 131.33 38.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.811 0.338 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.409 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 93.4 p -109.3 159.61 16.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.409 ' CD1' ' C ' ' A' ' 21' ' ' SER . 15.4 m-85 -141.15 157.28 45.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 54.1 mt -66.94 -57.6 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.125 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.401 ' OE1' ' CE1' ' A' ' 27' ' ' HIS . 55.3 mt-30 -98.14 152.94 18.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.409 ' OG ' ' CE1' ' A' ' 13' ' ' HIS . 12.9 m -62.28 -48.49 79.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.72 -41.9 11.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.088 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.401 ' CE1' ' OE1' ' A' ' 24' ' ' GLN . 38.0 m170 -60.92 -41.2 95.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.57 HD22 ' HB3' ' A' ' 13' ' ' HIS . 49.0 tp -74.7 -56.45 4.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 63.4 mt -42.27 -32.19 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -84.0 -35.85 23.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.849 ' O ' HG23 ' A' ' 34' ' ' ILE . 4.8 t60 -67.72 -44.52 77.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -51.26 -26.79 7.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.3 mtm180 -57.65 -28.87 64.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.849 HG23 ' O ' ' A' ' 31' ' ' HIS . 8.5 pt -58.68 -16.55 8.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.159 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.679 ' NE2' HD11 ' A' ' 34' ' ' ILE . 39.4 m-70 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.616 0.722 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.538 ' HG2' ' CD2' ' A' ' 13' ' ' HIS . 53.6 Cg_endo -69.76 -0.96 7.67 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.697 2.264 . . . . 0.0 112.339 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.558 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 33.4 m-70 -121.03 87.34 2.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.3 tttt -96.05 136.32 36.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.575 ' HA ' HD11 ' A' ' 28' ' ' LEU . 46.7 t -64.78 129.24 39.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -90.3 21.99 3.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.561 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 49.9 mm-40 -121.55 -43.65 2.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.2 p -122.46 -49.19 2.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 139.97 -18.23 2.95 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.515 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.6 mttp -57.05 129.67 42.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.801 0.334 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -106.77 162.7 13.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -139.69 146.65 39.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 76.7 mt -59.04 -43.06 88.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.139 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -107.7 149.19 28.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.558 ' HB3' ' CE1' ' A' ' 13' ' ' HIS . 79.9 p -67.13 -34.5 77.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.25 -35.34 78.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.118 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 45.3 m170 -65.57 -32.56 74.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.575 HD11 ' HA ' ' A' ' 15' ' ' CYS . 60.8 tp -80.38 -53.16 6.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.6 mt -44.49 -31.96 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -83.38 -28.35 29.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.499 ' CE1' ' CD1' ' A' ' 34' ' ' ILE . 50.2 t60 -77.44 -49.69 14.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.814 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -45.83 -21.2 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.406 ' N ' ' C ' ' A' ' 31' ' ' HIS . 16.6 mtt-85 -63.17 -39.94 96.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.499 ' CD1' ' CE1' ' A' ' 31' ' ' HIS . 7.4 pt -54.64 -16.49 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.137 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.561 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 87.6 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.638 0.733 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -2.01 9.46 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.333 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -139.75 126.56 20.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -142.0 146.83 36.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.8 t -84.3 157.02 21.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -105.36 -32.03 8.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.469 ' HG3' ' CB ' ' A' ' 35' ' ' HIS . 44.5 mm-40 -61.92 -59.6 4.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.7 p -101.74 -47.6 4.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.14 24.02 4.01 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.517 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.5 mttp -82.49 136.09 34.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.783 0.325 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 24.7 p -104.73 144.11 32.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.418 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 74.1 m-85 -127.81 167.43 16.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.448 ' N ' HD12 ' A' ' 23' ' ' ILE . 4.7 mp -88.93 -47.83 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.083 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -98.86 137.51 37.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.453 ' O ' HD12 ' A' ' 29' ' ' ILE . 2.8 p -58.47 -20.98 49.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.406 ' HA ' HD12 ' A' ' 29' ' ' ILE . . . -75.19 -34.73 61.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.084 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 66.6 m170 -64.14 -34.13 77.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.7 tp -78.67 -53.32 7.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.453 HD12 ' O ' ' A' ' 25' ' ' SER . 20.1 mt -45.53 -29.71 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.1 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -91.8 -35.66 13.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.689 ' O ' HG23 ' A' ' 34' ' ' ILE . 8.7 t60 -63.88 -45.96 87.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -52.94 -17.41 1.41 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -67.63 -28.95 68.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.689 HG23 ' O ' ' A' ' 31' ' ' HIS . 9.1 pt -59.41 -13.15 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.545 ' CE1' HD11 ' A' ' 34' ' ' ILE . 44.6 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.803 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.6 mtt180 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.599 0.714 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -3.89 12.92 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.653 2.235 . . . . 0.0 112.395 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.523 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 87.6 m-70 -136.06 134.7 38.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.2 tttt -143.52 152.28 41.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.2 t -88.92 122.06 31.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.6 t30 -86.22 21.95 1.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.567 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 41.6 mm-40 -115.63 -56.25 2.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.3 p -113.17 -31.96 6.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.12 10.3 11.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.0 mmtt -70.57 134.91 48.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.8 0.333 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.5 p -115.26 151.47 34.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.446 ' CD2' ' HB3' ' A' ' 27' ' ' HIS . 22.6 m-85 -139.03 159.61 41.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 37.6 mt -75.05 -46.01 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -104.32 154.83 19.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.523 ' HB3' ' CE1' ' A' ' 13' ' ' HIS . 85.9 p -66.75 -44.38 81.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.27 -39.45 30.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.09 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.446 ' HB3' ' CD2' ' A' ' 22' ' ' PHE . 48.9 m170 -61.7 -45.07 95.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.1 tp -71.73 -56.51 5.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 26.4 mt -41.49 -32.21 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.418 ' NE2' ' HD2' ' A' ' 33' ' ' ARG . 18.5 mm-40 -84.48 -45.66 12.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.429 ' O ' HG23 ' A' ' 34' ' ' ILE . 21.0 t60 -54.77 -49.8 70.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -43.86 -22.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.418 ' HD2' ' NE2' ' A' ' 30' ' ' GLN . 81.6 mtp180 -61.4 -42.47 98.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.429 HG23 ' O ' ' A' ' 31' ' ' HIS . 7.4 pt -53.68 -17.09 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.567 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 82.7 m-70 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 60.0 mmt-85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.579 0.704 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 2.85 3.16 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.702 2.268 . . . . 0.0 112.35 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.569 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 56.6 m-70 -153.72 121.09 5.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -131.04 145.48 52.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.3 t -79.56 153.42 29.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 -103.37 -36.52 7.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.574 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 26.8 mp0 -57.57 -66.53 0.45 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.8 p -98.84 -42.45 7.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.48 15.07 7.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -75.71 125.23 28.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.774 0.321 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.6 m -100.85 153.34 19.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 7.2 m-85 -131.85 178.57 6.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 70.4 mt -88.75 -44.54 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -113.05 142.64 45.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.569 ' HB3' ' CE1' ' A' ' 13' ' ' HIS . 91.3 p -53.97 -31.27 50.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.04 -40.14 88.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.085 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 30.9 m170 -62.32 -43.28 99.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.861 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 tp -72.04 -56.92 4.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.934 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.6 mt -43.89 -31.79 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -80.31 -36.67 33.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.501 ' O ' ' N ' ' A' ' 33' ' ' ARG . 75.9 t60 -63.97 -56.93 11.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 31' ' ' HIS . 54.9 mt-30 -36.96 -28.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 31' ' ' HIS . 62.4 mtp180 -66.2 -46.49 77.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 31' ' ' HIS . 1.3 pp -57.74 -16.78 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.098 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.574 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 17.1 m-70 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.424 ' HD3' ' C ' ' A' ' 22' ' ' PHE . 42.0 mtt180 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.612 0.72 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -4.78 14.76 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.659 2.239 . . . . 0.0 112.303 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -137.3 123.92 21.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.5 tttt -137.4 130.36 30.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.9 t -59.63 118.86 6.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -91.91 21.39 4.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -111.48 -39.46 4.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.0 p -125.26 -40.58 2.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 132.83 -7.43 5.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.493 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.422 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -54.79 167.42 0.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.781 0.324 . . . . 0.0 110.922 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 m -144.98 149.87 35.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.424 ' C ' ' HD3' ' A' ' 11' ' ' ARG . 33.1 m-85 -140.56 164.4 30.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.6 mt -84.51 -54.48 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.133 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -97.3 141.82 29.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 83.5 p -53.34 -49.23 67.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.55 -44.11 12.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.094 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 46.0 m170 -56.36 -51.57 67.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 31' ' ' HIS . 63.6 tp -65.62 -54.99 20.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.1 mt -40.57 -33.04 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -81.82 -34.43 30.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.629 ' O ' HG23 ' A' ' 34' ' ' ILE . 22.1 t60 -71.8 -48.16 48.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -48.17 -28.35 2.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 67.7 mtm180 -54.78 -39.89 68.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.629 HG23 ' O ' ' A' ' 31' ' ' HIS . 4.4 pt -55.09 -18.88 3.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.156 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.52 ' NE2' HD11 ' A' ' 34' ' ' ILE . 83.0 m-70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.843 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.597 0.713 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.57 ' HG2' ' CD2' ' A' ' 13' ' ' HIS . 53.6 Cg_endo -69.74 2.79 3.2 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.695 2.264 . . . . 0.0 112.36 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.572 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 28.5 m-70 -141.83 110.24 6.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.6 tttt -127.82 142.54 51.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.426 ' HA ' HD11 ' A' ' 28' ' ' LEU . 44.0 t -75.46 135.35 40.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 -97.71 20.99 11.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.521 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 27.0 mm-40 -118.89 -52.13 2.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.1 p -109.38 -43.5 4.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.1 15.57 4.66 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.464 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -80.17 131.71 35.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.811 0.338 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 72.7 p -106.11 149.72 26.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.836 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -133.15 167.31 20.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.6 mt -86.19 -44.89 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -106.82 138.42 43.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.572 ' HB3' ' CE1' ' A' ' 13' ' ' HIS . 98.4 p -51.38 -52.18 48.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -41.55 -43.66 2.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 54.6 m170 -57.87 -49.28 77.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.426 HD11 ' HA ' ' A' ' 15' ' ' CYS . 58.1 tp -68.99 -56.62 7.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 83.1 mt -41.85 -34.35 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -85.2 -43.89 13.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.649 ' O ' HG23 ' A' ' 34' ' ' ILE . 13.0 t60 -55.96 -43.73 77.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.833 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -50.25 -19.59 0.84 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 56.2 mtp85 -65.38 -33.83 76.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.649 HG23 ' O ' ' A' ' 31' ' ' HIS . 8.0 pt -55.4 -15.03 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.092 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.521 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 75.0 m-70 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 121.598 0.713 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.527 ' HG2' ' CD2' ' A' ' 13' ' ' HIS . 53.5 Cg_endo -69.78 2.2 3.76 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.687 2.258 . . . . 0.0 112.358 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.545 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 15.2 m-70 -150.7 127.42 10.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.5 tttt -138.73 138.36 37.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.5 t -70.72 124.83 25.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -87.57 22.01 2.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.405 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 10.4 mm-40 -119.14 -60.29 1.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -96.22 -41.88 8.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.73 14.37 6.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.5 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.4 mttm -75.06 174.16 9.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.754 0.312 . . . . 0.0 110.936 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.9 p -143.37 144.03 31.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -127.34 169.1 13.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 33.3 mt -84.55 -40.55 15.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.153 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -116.55 150.41 38.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.955 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.545 ' HB3' ' CE1' ' A' ' 13' ' ' HIS . 67.5 p -61.98 -33.5 74.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.28 -44.41 92.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.09 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 41.1 m170 -61.08 -37.23 81.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.843 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.405 HD22 ' HB3' ' A' ' 13' ' ' HIS . 51.3 tp -73.34 -50.11 23.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 39.3 mt -52.26 -28.45 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.172 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -86.38 -19.54 29.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.942 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.506 ' O ' ' N ' ' A' ' 33' ' ' ARG . 56.6 t60 -85.5 -65.52 1.0 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 31' ' ' HIS . 82.7 mt-30 -34.95 -31.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 31' ' ' HIS . 42.8 mtt180 -53.01 -49.59 65.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.436 HG13 ' N ' ' A' ' 35' ' ' HIS . 4.3 pt -44.83 -21.91 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.099 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.436 ' N ' HG13 ' A' ' 34' ' ' ILE . 96.4 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.6 0.714 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 2.62 3.39 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.686 2.257 . . . . 0.0 112.348 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.486 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 78.4 m-70 -146.04 111.74 5.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.0 tttm -127.92 144.04 51.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.9 t -81.61 124.21 29.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -88.23 21.98 2.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -118.6 -53.76 2.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.9 p -105.15 -46.75 4.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.73 21.4 3.58 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.539 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.3 mttp -90.96 126.94 36.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.793 0.33 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 79.2 p -100.43 142.65 31.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.823 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -123.71 171.29 9.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.425 ' N ' HD12 ' A' ' 23' ' ' ILE . 5.1 mp -89.72 -54.93 6.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -101.64 135.63 42.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.486 ' HB3' ' CE1' ' A' ' 13' ' ' HIS . 82.5 p -47.4 -44.38 24.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.04 -40.23 30.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.127 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 50.9 m170 -60.43 -51.66 68.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.9 tp -64.25 -52.02 60.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 73.5 mt -49.11 -31.0 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 55.5 mm-40 -86.24 -21.57 27.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.511 ' O ' ' N ' ' A' ' 33' ' ' ARG . 35.5 t60 -83.32 -62.2 1.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 31' ' ' HIS . 48.3 mt-30 -35.99 -29.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 31' ' ' HIS . 63.6 mtt-85 -54.76 -48.91 72.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.461 HG13 ' N ' ' A' ' 35' ' ' HIS . 4.2 pt -44.75 -22.76 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.174 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.461 ' N ' HG13 ' A' ' 34' ' ' ILE . 87.9 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.43 ' HD3' ' C ' ' A' ' 22' ' ' PHE . 95.6 mtt180 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.594 0.711 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 2.83 3.18 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.651 2.234 . . . . 0.0 112.34 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.571 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 69.5 m-70 -145.15 124.26 12.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.859 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.6 tttt -139.47 140.5 37.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.7 t -80.22 159.66 25.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -108.91 -40.41 5.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.547 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 14.7 mm-40 -53.41 -55.58 23.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.8 p -109.37 -42.63 4.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.59 17.7 6.9 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.471 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.7 mttm -78.85 127.82 32.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.775 0.321 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.2 m -106.72 154.51 20.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.465 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 2.9 m-85 -135.82 173.98 11.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.3 mt -84.37 -56.21 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.147 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -99.01 140.52 33.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.571 ' HB3' ' CE1' ' A' ' 13' ' ' HIS . 74.1 p -52.43 -39.34 60.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.78 -40.53 66.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.117 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 37.5 m170 -61.65 -43.54 98.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.421 HD22 ' HB3' ' A' ' 13' ' ' HIS . 58.1 tp -71.96 -57.89 3.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 73.2 mt -40.57 -34.51 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -81.25 -39.72 24.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.514 ' O ' ' N ' ' A' ' 33' ' ' ARG . 15.9 t60 -61.23 -64.37 0.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 31' ' ' HIS . 57.2 mt-30 -35.79 -29.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.514 ' N ' ' O ' ' A' ' 31' ' ' HIS . 14.3 mmm180 -54.25 -49.07 70.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.475 HG13 ' N ' ' A' ' 35' ' ' HIS . 4.3 pt -44.7 -23.47 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.147 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.547 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 56.4 m-70 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.822 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 57.5 mtt-85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.656 0.741 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.438 ' HG2' ' CD2' ' A' ' 13' ' ' HIS . 53.8 Cg_endo -69.76 1.93 3.99 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.717 2.278 . . . . 0.0 112.348 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.758 ' HB3' HD22 ' A' ' 28' ' ' LEU . 56.7 m-70 -144.05 131.18 20.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -141.1 149.12 41.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 19' ' ' GLY . 24.5 t -101.22 84.33 2.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -45.06 -31.45 1.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -51.23 -63.53 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.8 p -107.53 -40.14 5.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 122.09 15.03 4.38 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.7 mmtt -79.05 137.11 37.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 89.0 p -116.89 155.67 28.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -140.64 173.61 11.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.5 mp -90.09 -54.3 7.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -101.4 157.27 16.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 72.3 m -61.46 -50.85 71.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.67 -43.43 8.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.081 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 57.1 m170 -58.25 -49.21 77.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.758 HD22 ' HB3' ' A' ' 13' ' ' HIS . 66.4 tp -67.91 -56.57 8.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 56.8 mt -42.09 -33.76 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.417 ' NE2' ' HA ' ' A' ' 30' ' ' GLN . 7.5 mm-40 -79.51 -31.75 42.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.952 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.519 ' O ' ' N ' ' A' ' 33' ' ' ARG . 41.7 t60 -73.38 -60.86 2.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 31' ' ' HIS . 67.4 mt-30 -35.5 -30.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 31' ' ' HIS . 54.7 mtp180 -54.3 -49.25 70.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.756 HD11 ' NE2' ' A' ' 35' ' ' HIS . 4.3 pt -44.93 -21.45 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.1 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.756 ' NE2' HD11 ' A' ' 34' ' ' ILE . 75.9 m-70 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.613 0.721 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 1.81 4.09 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.711 2.274 . . . . 0.0 112.321 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.416 ' HB3' HD22 ' A' ' 28' ' ' LEU . 69.4 m-70 -149.29 109.88 4.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.446 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 30.2 tttt -123.27 145.72 48.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.446 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 42.3 t -83.87 158.6 21.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -108.1 -33.25 7.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.942 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.455 ' HG3' ' CB ' ' A' ' 35' ' ' HIS . 44.7 mm-40 -59.13 -68.22 0.29 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -93.14 -42.29 9.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.96 17.73 7.2 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -86.61 141.13 29.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.812 0.339 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 m -114.94 162.2 17.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.508 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 11.6 m-85 -138.49 169.94 16.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.573 HG22 HE21 ' A' ' 24' ' ' GLN . 57.5 mt -75.02 -60.47 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.116 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.573 HE21 HG22 ' A' ' 23' ' ' ILE . 13.4 mm-40 -102.0 153.71 19.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 64.0 p -56.88 -49.03 76.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.84 -41.4 5.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 53.9 m170 -61.65 -43.27 99.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 31' ' ' HIS . 42.4 tp -73.11 -56.1 5.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.1 mt -40.99 -33.88 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.1 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 60.0 mm-40 -85.9 -31.1 22.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.653 ' O ' HG23 ' A' ' 34' ' ' ILE . 10.9 t60 -71.17 -50.42 33.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -49.29 -19.64 0.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 51.8 mtt180 -64.91 -35.1 80.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.726 HD11 ' CE1' ' A' ' 35' ' ' HIS . 10.8 pt -52.39 -15.72 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.726 ' CE1' HD11 ' A' ' 34' ' ' ILE . 28.0 m-70 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.834 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.408 ' HD3' ' C ' ' A' ' 22' ' ' PHE . 53.4 mtt180 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.575 0.702 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.517 ' HG2' ' CD2' ' A' ' 13' ' ' HIS . 53.4 Cg_endo -69.81 2.1 3.86 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.619 2.213 . . . . 0.0 112.328 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.552 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 23.9 m-70 -138.73 118.14 12.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -136.9 141.27 42.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.5 t -79.04 153.28 30.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -99.89 -30.44 12.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.533 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 0.7 OUTLIER -64.61 -63.69 1.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.3 p -98.4 -48.49 5.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.63 16.66 4.97 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.45 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.6 mttm -73.13 133.56 44.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.75 0.309 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.8 p -102.83 150.15 23.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.826 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.408 ' C ' ' HD3' ' A' ' 11' ' ' ARG . 32.4 m-85 -134.94 161.35 35.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.3 mt -77.48 -43.04 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.42 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 92.3 mt-30 -112.34 143.67 43.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.552 ' HB3' ' CE1' ' A' ' 13' ' ' HIS . 72.2 p -56.31 -49.96 72.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.73 -47.16 7.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.112 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.42 ' CE1' ' HB2' ' A' ' 24' ' ' GLN . 29.9 m170 -56.85 -43.63 81.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.2 tp -68.75 -49.97 54.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 15.8 mt -56.12 -27.76 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -88.03 -14.31 39.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.477 ' O ' ' N ' ' A' ' 33' ' ' ARG . 24.2 t60 -87.97 -54.07 4.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -40.6 -24.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 31' ' ' HIS . 17.7 mtp85 -59.86 -44.8 93.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.813 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.406 HG12 ' O ' ' A' ' 31' ' ' HIS . 8.7 pt -48.83 -18.47 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.533 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 84.8 m-70 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? . . . . . 0 C--O 1.231 0.09 0 CA-C-O 121.609 0.719 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.485 ' HG2' ' CD2' ' A' ' 13' ' ' HIS . 53.6 Cg_endo -69.75 -4.5 14.15 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.648 2.232 . . . . 0.0 112.363 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.569 ' CE1' ' HB2' ' A' ' 25' ' ' SER . 11.8 m-70 -122.49 131.99 54.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -141.79 145.28 34.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.4 t -85.1 161.34 19.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -107.71 -39.09 5.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.558 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 2.1 mp0 -58.18 -56.23 24.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -103.83 -45.84 4.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.03 20.92 6.53 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.445 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -81.85 139.59 34.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.821 0.343 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 87.8 p -106.95 143.53 34.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.833 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -125.33 145.31 50.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.761 ' H ' HD12 ' A' ' 23' ' ' ILE . 5.0 mp -56.39 -50.24 73.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.103 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.449 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 72.1 mt-30 -111.98 145.3 39.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.569 ' HB2' ' CE1' ' A' ' 13' ' ' HIS . 15.3 t -55.59 -53.56 54.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.817 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -38.82 -41.95 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.055 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' A' ' 24' ' ' GLN . 22.7 m170 -62.17 -41.33 98.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 25' ' ' SER . 59.7 tp -70.13 -55.65 8.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 78.1 mt -44.95 -32.8 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.115 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -84.83 -29.55 25.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.519 ' O ' ' N ' ' A' ' 33' ' ' ARG . 22.3 t60 -72.89 -57.85 3.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 31' ' ' HIS . 79.9 mt-30 -37.79 -26.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.952 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 31' ' ' HIS . 15.2 mtp-105 -57.92 -47.66 82.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.436 HG13 ' N ' ' A' ' 35' ' ' HIS . 4.2 pt -44.57 -21.43 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.558 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 91.6 m-70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.843 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.2 mtt180 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.621 0.724 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -0.46 6.96 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.617 2.211 . . . . 0.0 112.334 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.512 ' CE1' ' HB2' ' A' ' 25' ' ' SER . 42.4 m-70 -135.53 109.41 8.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.84 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -124.51 138.04 54.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.2 t -76.67 124.34 27.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -91.19 12.94 18.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -105.03 -40.1 6.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.1 p -126.66 -39.86 1.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.65 13.45 5.14 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.516 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -87.42 126.86 35.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.776 0.322 . . . . 0.0 110.935 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.484 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 4.2 m -109.56 162.44 14.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.484 ' CD1' ' C ' ' A' ' 21' ' ' SER . 2.8 m-85 -141.13 152.7 44.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 17.3 mt -59.61 -53.1 53.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -105.42 154.57 20.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.512 ' HB2' ' CE1' ' A' ' 13' ' ' HIS . 26.6 t -61.34 -53.65 53.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -39.34 -43.19 1.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.142 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 61.8 m170 -60.43 -38.93 85.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.824 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 25' ' ' SER . 59.3 tp -76.94 -55.64 5.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 90.1 mt -39.9 -33.76 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.103 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -80.57 -42.65 21.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.509 ' O ' ' N ' ' A' ' 33' ' ' ARG . 47.2 t60 -61.65 -55.04 34.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -38.71 -25.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.509 ' N ' ' O ' ' A' ' 31' ' ' HIS . 71.2 mtp180 -58.9 -46.65 87.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.722 HD11 ' NE2' ' A' ' 35' ' ' HIS . 3.8 pt -50.24 -17.32 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.722 ' NE2' HD11 ' A' ' 34' ' ' ILE . 82.8 m-70 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.9 mmm180 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 121.625 0.726 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 2.92 3.11 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.683 2.256 . . . . 0.0 112.323 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -150.18 108.11 3.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.455 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 27.5 tttt -122.42 144.67 48.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.455 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 48.5 t -83.42 162.65 20.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -113.12 -37.66 4.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.573 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 53.4 mm-40 -56.92 -57.68 11.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -105.03 -43.26 5.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.57 17.43 6.54 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.511 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -81.61 138.87 35.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.811 0.339 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.3 m -112.3 159.61 18.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -137.86 -179.91 6.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.464 ' N ' HD12 ' A' ' 23' ' ' ILE . 4.5 mp -89.36 -49.52 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -107.22 166.35 10.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 85.3 p -74.3 -34.73 63.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.37 -36.41 77.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.092 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 45.0 m170 -63.21 -47.34 82.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.6 tp -71.07 -49.93 39.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 57.7 mt -48.15 -31.2 2.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -87.47 -20.4 26.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.526 ' O ' ' N ' ' A' ' 33' ' ' ARG . 25.0 t60 -82.43 -60.37 2.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 31' ' ' HIS . 83.9 mt-30 -37.14 -27.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 31' ' ' HIS . 42.2 mtp180 -56.92 -47.98 79.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.857 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.478 HD11 ' CE1' ' A' ' 35' ' ' HIS . 4.1 pt -45.06 -21.35 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.573 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 67.9 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.3 p -89.41 100.51 13.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.877 0.37 . . . . 0.0 110.908 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.9 p -67.42 119.08 11.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.32 132.15 6.53 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.505 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 t 68.7 42.06 1.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.886 0.374 . . . . 0.0 110.861 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.3 p -120.58 114.54 21.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.59 -140.57 6.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.491 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.0 t -104.8 135.6 45.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 0.0 111.12 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.86 99.94 1.72 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.477 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -128.2 168.84 14.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.856 0.36 . . . . 0.0 110.871 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -126.17 145.26 51.79 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.6 0.714 . . . . 0.0 110.881 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.429 ' HG2' ' CD2' ' A' ' 13' ' ' HIS . 53.5 Cg_endo -69.75 -3.41 11.96 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.706 2.27 . . . . 0.0 112.353 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.429 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 68.3 m-70 -128.81 131.18 47.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.47 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 0.6 OUTLIER -141.18 144.8 34.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.47 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 12.2 t -74.6 136.72 42.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.4 m-20 -92.37 -6.97 49.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.586 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 18.0 mm-40 -84.71 -53.24 5.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.0 p -108.54 -49.36 3.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 130.26 1.92 5.15 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.498 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.48 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 20.9 mtpp -59.52 176.11 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.762 0.315 . . . . 0.0 110.89 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.9 p -144.27 153.03 41.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -141.35 151.14 43.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.7 mt -63.3 -51.1 75.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -106.83 153.63 22.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.8 p -62.45 -54.18 43.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.25 -33.9 0.69 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.097 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 58.5 m170 -66.3 -44.23 84.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.454 HD11 ' HA ' ' A' ' 15' ' ' CYS . 42.6 tp -73.21 -54.55 8.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 40.4 mt -43.39 -31.72 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.172 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -82.44 -39.07 23.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.934 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.488 ' CE1' HD11 ' A' ' 34' ' ' ILE . 17.2 t60 -62.47 -54.45 39.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -38.99 -26.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 31' ' ' HIS . 67.9 mtm180 -58.3 -46.98 85.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.488 HD11 ' CE1' ' A' ' 31' ' ' HIS . 9.9 pt -45.54 -24.01 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.586 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 93.3 m-70 -87.1 -46.71 9.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.547 HG23 ' O ' ' A' ' 36' ' ' THR . 9.9 t -106.5 111.56 24.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.186 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.87 -150.64 21.51 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -109.45 123.47 49.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.91 0.386 . . . . 0.0 110.872 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.54 80.31 72.12 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.616 0.722 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -3.57 12.31 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.697 2.265 . . . . 0.0 112.318 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.1 t -84.68 -40.83 16.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -41.66 147.95 0.41 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.452 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -28.01 25.79 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.666 2.244 . . . . 0.0 112.314 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.5 m -43.52 111.92 0.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.817 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.0 m -55.35 152.03 9.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.841 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.098 -0.835 . . . . 0.0 112.444 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 t 47.02 42.07 12.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.359 . . . . 0.0 110.859 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.8 p -73.82 129.56 38.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.29 -157.0 10.4 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 6' ' ' SER . 3.8 t -117.9 83.84 2.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.902 0.382 . . . . 0.0 110.898 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 5' ' ' SER . 3.7 t 36.78 41.58 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.814 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.26 -161.76 26.87 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.507 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.2 t -115.31 137.28 52.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.851 0.358 . . . . 0.0 111.129 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.01 137.96 10.03 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.516 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.434 ' C ' ' OE1' ' A' ' 10' ' ' GLU . 0.4 OUTLIER -100.77 160.8 14.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.79 0.329 . . . . 0.0 110.899 -179.812 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.469 ' N ' ' HD2' ' A' ' 11' ' ' ARG . 3.0 mpt_? -114.57 145.1 33.11 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.64 0.733 . . . . 0.0 110.843 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -3.9 12.94 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.648 2.232 . . . . 0.0 112.371 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.445 ' HB3' HD22 ' A' ' 28' ' ' LEU . 75.1 m-70 -117.07 102.16 9.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -113.69 126.77 55.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.43 ' HA ' HD11 ' A' ' 28' ' ' LEU . 48.5 t -61.58 122.57 15.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -87.29 22.27 2.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.492 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 42.2 mm-40 -119.27 -38.72 2.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.845 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.2 p -129.28 -41.64 1.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 132.14 -21.97 4.3 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.475 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.1 mtpt -54.8 130.93 42.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.815 0.34 . . . . 0.0 110.859 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.0 p -112.41 164.44 13.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -141.61 155.85 45.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.437 HD11 ' NH2' ' A' ' 11' ' ' ARG . 4.9 mp -71.54 -47.25 59.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -97.89 141.65 30.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.3 p -61.12 -34.92 75.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.78 -34.18 74.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.098 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 54.6 m170 -65.9 -40.27 91.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.445 HD22 ' HB3' ' A' ' 13' ' ' HIS . 61.9 tp -75.4 -58.28 3.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.7 mt -38.48 -35.41 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -81.35 -41.86 21.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.465 ' O ' HG23 ' A' ' 34' ' ' ILE . 33.1 t60 -61.18 -52.87 63.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -46.02 -21.09 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.405 ' N ' ' C ' ' A' ' 31' ' ' HIS . 20.9 mmm180 -62.99 -40.95 99.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.465 HG23 ' O ' ' A' ' 31' ' ' HIS . 7.0 pt -53.53 -16.99 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.492 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 74.2 m-70 -108.11 27.13 9.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -152.03 125.77 8.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 104.79 49.94 0.99 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.501 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.433 ' C ' ' HD3' ' A' ' 40' ' ' PRO . 51.0 mt-10 -127.81 78.37 1.82 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.909 0.385 . . . . 0.0 110.882 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.514 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 28.9 ttpt 39.2 50.19 2.7 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.561 0.696 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.6 Cg_endo -69.79 118.8 5.9 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.672 2.248 . . . . 0.0 112.306 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.3 t -118.59 154.91 31.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 51.49 -160.03 2.1 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.498 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 90.01 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.721 2.28 . . . . 0.0 112.371 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.1 t -54.93 -54.83 37.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.883 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.8 t -128.29 174.87 8.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.148 -0.807 . . . . 0.0 112.48 179.966 . . . . . . . . 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 -0.329 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 t -129.28 134.33 47.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.873 0.368 . . . . 0.0 110.868 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 t -91.9 -58.45 2.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.852 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.86 79.95 0.11 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 t -72.43 134.94 45.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.89 0.376 . . . . 0.0 110.836 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.9 p -59.92 108.05 0.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.837 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.25 142.29 4.3 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.508 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 t -76.93 140.05 40.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.835 0.35 . . . . 0.0 111.123 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 177.5 59.82 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.484 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -132.73 175.16 9.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.843 0.354 . . . . 0.0 110.878 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.449 ' N ' ' HD2' ' A' ' 11' ' ' ARG . 5.6 mpt_? -100.94 144.53 28.73 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.614 0.721 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.537 ' HG2' ' CD2' ' A' ' 13' ' ' HIS . 53.9 Cg_endo -69.75 -3.6 12.34 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.319 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.537 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 37.3 m-70 -127.18 110.82 13.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.879 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.7 tttt -123.74 135.98 54.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.9 t -64.78 131.05 45.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 60.0 m-20 -95.75 20.71 9.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.441 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 12.4 mm-40 -119.41 -38.9 2.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.1 p -125.23 -46.54 1.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 135.69 -24.74 3.3 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.487 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -50.99 132.43 27.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.833 0.349 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.469 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 78.2 p -110.84 163.06 14.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.469 ' CD1' ' C ' ' A' ' 21' ' ' SER . 4.6 m-85 -140.27 163.03 33.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.3 mt -79.55 -50.23 18.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.53 HE21 ' CE1' ' A' ' 27' ' ' HIS . 25.7 mt-30 -100.32 130.88 46.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 71.4 p -47.92 -46.7 32.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.81 -44.48 39.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.09 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.53 ' CE1' HE21 ' A' ' 24' ' ' GLN . 58.7 m170 -56.26 -49.36 74.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 31' ' ' HIS . 56.4 tp -67.33 -56.67 8.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.4 mt -39.96 -34.4 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -83.9 -33.17 24.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.778 ' O ' HG23 ' A' ' 34' ' ' ILE . 17.0 t60 -69.5 -38.92 77.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -56.77 -14.21 3.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -74.05 -12.95 60.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.778 HG23 ' O ' ' A' ' 31' ' ' HIS . 11.3 pt -73.53 -13.83 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.165 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.441 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 50.4 m-70 -112.17 -43.22 3.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.819 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.7 p -71.59 83.67 0.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.172 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -134.45 -131.99 3.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.529 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -48.43 116.21 1.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.923 0.392 . . . . 0.0 110.853 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -148.77 144.63 18.51 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.58 0.705 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -20.11 35.59 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.353 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.4 m -109.81 124.31 51.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 140.71 153.52 6.01 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.497 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -30.32 22.47 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.0 m -64.84 138.42 58.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 45.0 t -44.33 166.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.471 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.431 -0.267 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.3 p -121.51 122.91 40.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.361 . . . . 0.0 110.834 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.5 m -125.33 -55.1 1.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.62 -55.56 0.76 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.532 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -160.28 140.43 11.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.929 0.395 . . . . 0.0 110.866 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.8 t -156.58 109.89 2.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.847 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.79 162.13 9.29 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.525 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 66.9 p -84.52 46.47 1.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.813 0.34 . . . . 0.0 111.14 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.14 93.48 1.21 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.481 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -86.14 -23.7 26.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 0.0 110.889 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.9 mtt85 -144.08 144.01 24.69 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.621 0.725 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 2.63 3.34 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.696 2.264 . . . . 0.0 112.375 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.498 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 77.7 m-70 -137.66 131.69 31.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.8 ttpt -143.1 124.96 15.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.6 t -55.49 131.68 46.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 -91.14 21.9 4.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -117.35 -63.95 1.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.823 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.2 p -95.6 -38.97 10.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.04 13.26 7.2 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.466 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.538 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 25.6 mttm -72.92 173.25 9.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.777 0.322 . . . . 0.0 110.925 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 89.0 p -144.96 152.23 39.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -137.31 161.65 35.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 69.3 mt -68.91 -61.34 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -100.79 158.47 15.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.498 ' HB3' ' CE1' ' A' ' 13' ' ' HIS . 69.7 p -62.38 -44.67 95.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.92 -41.48 24.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.103 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 54.2 m170 -59.74 -50.41 73.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 31' ' ' HIS . 52.6 tp -64.26 -56.16 16.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 81.9 mt -42.48 -33.25 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.12 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -81.02 -32.26 34.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.958 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.538 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 12.4 t60 -72.85 -51.28 19.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -43.19 -22.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.465 ' HA ' HG23 ' A' ' 36' ' ' THR . 70.1 mtt-85 -61.41 -43.03 99.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.463 HD11 ' CE1' ' A' ' 31' ' ' HIS . 6.8 pt -53.84 -14.72 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -109.07 23.51 14.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.465 HG23 ' HA ' ' A' ' 33' ' ' ARG . 1.6 p -122.24 140.15 52.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.182 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 110.67 -47.55 1.03 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.469 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -113.49 77.72 1.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.935 0.397 . . . . 0.0 110.899 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.6 mttp -64.04 161.45 39.24 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.568 0.699 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 1.94 4.0 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.677 2.252 . . . . 0.0 112.367 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 t 74.47 54.09 0.09 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.99 146.2 0.73 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.472 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 2.2 3.77 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.31 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.4 m -117.69 82.93 1.91 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 92.4 p -121.81 151.41 40.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.179 -0.789 . . . . 0.0 112.508 -179.951 . . . . . . . . 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 1.452 -0.284 0 N-CA-C 112.456 -0.257 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.1 p -109.26 41.61 1.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.368 . . . . 0.0 110.883 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.1 p -76.9 128.07 33.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.842 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.31 -43.11 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.477 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 m -51.71 97.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.854 0.359 . . . . 0.0 110.865 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.2 p -50.8 151.18 2.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.93 -50.62 54.06 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.478 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.2 p -54.32 166.47 0.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.787 0.327 . . . . 0.0 111.143 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.48 64.79 1.37 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.457 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.419 ' C ' ' HD2' ' A' ' 11' ' ' ARG . 26.5 tt0 -96.35 160.65 14.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.854 0.359 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.419 ' HD2' ' C ' ' A' ' 10' ' ' GLU . 3.0 mpt_? -128.42 143.95 50.13 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.636 0.732 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -3.92 12.98 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.691 2.261 . . . . 0.0 112.323 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.57 ' HB3' HD22 ' A' ' 28' ' ' LEU . 57.0 m-70 -122.06 115.73 23.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.3 tttt -129.82 136.96 50.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.9 t -73.93 128.18 34.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -91.7 22.77 3.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.491 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 6.3 mm-40 -118.28 -46.15 2.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.5 p -116.92 -43.81 2.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.71 20.32 3.2 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.495 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.3 mtpt -93.34 131.33 38.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.811 0.338 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.409 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 93.4 p -109.3 159.61 16.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.409 ' CD1' ' C ' ' A' ' 21' ' ' SER . 15.4 m-85 -141.15 157.28 45.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 54.1 mt -66.94 -57.6 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.125 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.401 ' OE1' ' CE1' ' A' ' 27' ' ' HIS . 55.3 mt-30 -98.14 152.94 18.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.409 ' OG ' ' CE1' ' A' ' 13' ' ' HIS . 12.9 m -62.28 -48.49 79.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.72 -41.9 11.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.088 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.401 ' CE1' ' OE1' ' A' ' 24' ' ' GLN . 38.0 m170 -60.92 -41.2 95.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.57 HD22 ' HB3' ' A' ' 13' ' ' HIS . 49.0 tp -74.7 -56.45 4.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 63.4 mt -42.27 -32.19 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -84.0 -35.85 23.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.849 ' O ' HG23 ' A' ' 34' ' ' ILE . 4.8 t60 -67.72 -44.52 77.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -51.26 -26.79 7.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.3 mtm180 -57.65 -28.87 64.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.849 HG23 ' O ' ' A' ' 31' ' ' HIS . 8.5 pt -58.68 -16.55 8.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.159 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.679 ' NE2' HD11 ' A' ' 34' ' ' ILE . 39.4 m-70 -115.83 25.97 10.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.8 p -130.23 101.68 5.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 38' ' ' GLU . . . 156.75 -154.15 25.29 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.504 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.423 ' C ' ' HD3' ' A' ' 40' ' ' PRO . 11.5 mm-40 -37.14 155.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.881 0.372 . . . . 0.0 110.907 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.516 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 38.4 tttt 40.5 49.71 3.24 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.579 0.704 . . . . 0.0 110.898 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.8 Cg_endo -69.76 99.33 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.647 2.231 . . . . 0.0 112.318 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 62.7 p -63.42 129.3 39.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.07 153.99 20.13 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.527 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 121.19 7.88 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.659 2.239 . . . . 0.0 112.347 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.5 m -112.81 -46.63 3.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 45.2 t -65.23 136.52 56.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.446 179.989 . . . . . . . . 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 1.45 -0.391 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.4 p 38.51 42.28 0.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.899 0.381 . . . . 0.0 110.834 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.7 p -78.34 157.23 29.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.851 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.88 112.57 0.39 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.491 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.7 m -100.69 147.27 26.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.887 0.375 . . . . 0.0 110.871 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.0 p -85.11 175.29 9.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.73 -82.49 0.33 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.463 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.0 m -51.91 130.47 29.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.806 0.336 . . . . 0.0 111.159 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -84.97 -161.62 34.26 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.474 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.4 ' C ' ' HD2' ' A' ' 11' ' ' ARG . 9.1 mm-40 -143.65 147.59 34.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.872 0.368 . . . . 0.0 110.877 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.4 ' HD2' ' C ' ' A' ' 10' ' ' GLU . 7.0 mpt_? -126.31 145.69 53.58 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.616 0.722 . . . . 0.0 110.855 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.538 ' HG2' ' CD2' ' A' ' 13' ' ' HIS . 53.6 Cg_endo -69.76 -0.96 7.67 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.697 2.264 . . . . 0.0 112.339 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.558 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 33.4 m-70 -121.03 87.34 2.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.3 tttt -96.05 136.32 36.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.575 ' HA ' HD11 ' A' ' 28' ' ' LEU . 46.7 t -64.78 129.24 39.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -90.3 21.99 3.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.561 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 49.9 mm-40 -121.55 -43.65 2.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.2 p -122.46 -49.19 2.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 139.97 -18.23 2.95 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.515 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.6 mttp -57.05 129.67 42.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.801 0.334 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -106.77 162.7 13.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -139.69 146.65 39.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 76.7 mt -59.04 -43.06 88.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.139 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -107.7 149.19 28.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.558 ' HB3' ' CE1' ' A' ' 13' ' ' HIS . 79.9 p -67.13 -34.5 77.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.25 -35.34 78.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.118 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 45.3 m170 -65.57 -32.56 74.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.575 HD11 ' HA ' ' A' ' 15' ' ' CYS . 60.8 tp -80.38 -53.16 6.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.6 mt -44.49 -31.96 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -83.38 -28.35 29.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.499 ' CE1' ' CD1' ' A' ' 34' ' ' ILE . 50.2 t60 -77.44 -49.69 14.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.814 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -45.83 -21.2 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.406 ' N ' ' C ' ' A' ' 31' ' ' HIS . 16.6 mtt-85 -63.17 -39.94 96.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.499 ' CD1' ' CE1' ' A' ' 31' ' ' HIS . 7.4 pt -54.64 -16.49 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.137 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.561 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 87.6 m-70 -105.87 21.84 16.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -146.42 111.12 5.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -163.52 -126.19 0.8 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.446 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -74.11 128.46 35.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.925 0.393 . . . . 0.0 110.909 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.473 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 34.0 tttm -173.73 139.35 0.78 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.579 0.704 . . . . 0.0 110.955 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.473 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 53.9 Cg_endo -69.76 139.53 40.46 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.708 2.272 . . . . 0.0 112.359 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 40' ' ' PRO . 56.8 p 35.08 44.31 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -93.17 -94.55 1.48 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.489 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -178.31 2.3 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.695 2.264 . . . . 0.0 112.347 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 56.4 p -116.0 170.53 8.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.4 t -168.43 131.28 1.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 CA-C-O 119.166 -0.797 . . . . 0.0 112.517 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -133.95 104.89 6.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.845 0.355 . . . . 0.0 110.828 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.5 m -89.63 -53.41 4.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.901 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.3 127.18 2.42 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.488 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -139.61 144.99 37.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.837 0.351 . . . . 0.0 110.851 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.5 m -77.63 -47.66 18.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.24 -136.23 8.87 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.1 t -129.56 157.42 42.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.814 0.34 . . . . 0.0 111.131 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.41 124.19 2.96 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.465 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -99.77 117.69 34.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.797 0.332 . . . . 0.0 110.91 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -93.69 153.69 41.11 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.638 0.733 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -2.01 9.46 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.333 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -139.75 126.56 20.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -142.0 146.83 36.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.8 t -84.3 157.02 21.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -105.36 -32.03 8.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.469 ' HG3' ' CB ' ' A' ' 35' ' ' HIS . 44.5 mm-40 -61.92 -59.6 4.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.7 p -101.74 -47.6 4.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.14 24.02 4.01 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.517 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.5 mttp -82.49 136.09 34.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.783 0.325 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 24.7 p -104.73 144.11 32.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.418 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 74.1 m-85 -127.81 167.43 16.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.448 ' N ' HD12 ' A' ' 23' ' ' ILE . 4.7 mp -88.93 -47.83 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.083 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -98.86 137.51 37.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.453 ' O ' HD12 ' A' ' 29' ' ' ILE . 2.8 p -58.47 -20.98 49.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.406 ' HA ' HD12 ' A' ' 29' ' ' ILE . . . -75.19 -34.73 61.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.084 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 66.6 m170 -64.14 -34.13 77.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.7 tp -78.67 -53.32 7.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.453 HD12 ' O ' ' A' ' 25' ' ' SER . 20.1 mt -45.53 -29.71 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.1 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -91.8 -35.66 13.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.689 ' O ' HG23 ' A' ' 34' ' ' ILE . 8.7 t60 -63.88 -45.96 87.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -52.94 -17.41 1.41 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -67.63 -28.95 68.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.689 HG23 ' O ' ' A' ' 31' ' ' HIS . 9.1 pt -59.41 -13.15 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.545 ' CE1' HD11 ' A' ' 34' ' ' ILE . 44.6 m-70 -112.07 -48.47 3.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.803 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 35' ' ' HIS . 63.2 p -35.97 117.52 0.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.112 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 162.5 -128.16 1.83 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.509 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -136.35 133.37 36.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.919 0.39 . . . . 0.0 110.878 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -158.43 151.45 18.5 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.547 0.689 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -37.13 9.69 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.655 2.237 . . . . 0.0 112.343 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.3 p -174.3 132.11 0.38 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -110.78 161.13 12.94 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 80.43 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.701 2.268 . . . . 0.0 112.317 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 36.6 m -132.69 79.34 1.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.4 m -161.69 178.57 8.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.873 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.165 -0.797 . . . . 0.0 112.467 179.99 . . . . . . . . 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 1.452 -0.285 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.9 m -113.28 -53.64 2.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.907 0.384 . . . . 0.0 110.867 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.6 t -57.44 109.64 0.72 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.82 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.11 130.73 10.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.5 m -115.67 -50.77 2.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.856 0.36 . . . . 0.0 110.839 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.0 t -67.97 171.41 6.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.87 37.89 0.71 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.7 m -160.03 134.17 7.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 0.0 111.146 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -141.5 118.65 1.37 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.525 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -124.06 -20.2 5.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.827 0.346 . . . . 0.0 110.894 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.6 mtt180 -152.13 143.96 16.3 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.599 0.714 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -3.89 12.92 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.653 2.235 . . . . 0.0 112.395 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.523 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 87.6 m-70 -136.06 134.7 38.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.2 tttt -143.52 152.28 41.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.2 t -88.92 122.06 31.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.6 t30 -86.22 21.95 1.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.567 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 41.6 mm-40 -115.63 -56.25 2.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.3 p -113.17 -31.96 6.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.12 10.3 11.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.0 mmtt -70.57 134.91 48.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.8 0.333 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.5 p -115.26 151.47 34.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.446 ' CD2' ' HB3' ' A' ' 27' ' ' HIS . 22.6 m-85 -139.03 159.61 41.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 37.6 mt -75.05 -46.01 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -104.32 154.83 19.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.523 ' HB3' ' CE1' ' A' ' 13' ' ' HIS . 85.9 p -66.75 -44.38 81.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.27 -39.45 30.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.09 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.446 ' HB3' ' CD2' ' A' ' 22' ' ' PHE . 48.9 m170 -61.7 -45.07 95.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.1 tp -71.73 -56.51 5.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 26.4 mt -41.49 -32.21 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.418 ' NE2' ' HD2' ' A' ' 33' ' ' ARG . 18.5 mm-40 -84.48 -45.66 12.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.429 ' O ' HG23 ' A' ' 34' ' ' ILE . 21.0 t60 -54.77 -49.8 70.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -43.86 -22.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.418 ' HD2' ' NE2' ' A' ' 30' ' ' GLN . 81.6 mtp180 -61.4 -42.47 98.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.429 HG23 ' O ' ' A' ' 31' ' ' HIS . 7.4 pt -53.68 -17.09 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.567 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 82.7 m-70 -108.4 -41.46 4.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.95 48.87 0.87 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.14 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.18 164.91 0.18 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.462 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -134.23 148.66 50.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.964 0.411 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.477 ' CD ' ' HD2' ' A' ' 40' ' ' PRO . 11.2 tppt? -88.69 135.99 31.61 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.548 0.69 . . . . 0.0 110.913 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.477 ' HD2' ' CD ' ' A' ' 39' ' ' LYS . 53.9 Cg_endo -69.76 141.08 44.29 Favored 'Trans proline' 0 C--O 1.23 0.122 0 C-N-CA 122.68 2.254 . . . . 0.0 112.314 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 82.4 p -158.86 120.23 3.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.54 168.2 14.91 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.507 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 90.89 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.337 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 36.3 p -45.08 141.12 2.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.865 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.7 p -52.52 171.56 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.098 -0.834 . . . . 0.0 112.491 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.1 p -165.03 158.25 16.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.36 . . . . 0.0 110.91 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.9 p -156.18 143.26 18.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.6 151.14 5.58 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.8 m -161.0 168.05 25.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.35 . . . . 0.0 110.896 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.1 p -116.6 133.66 55.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.96 171.26 0.14 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.521 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.0 t -86.08 -13.85 46.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.86 0.362 . . . . 0.0 111.13 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.07 61.99 0.38 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -78.47 141.24 38.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.845 0.355 . . . . 0.0 110.861 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 60.0 mmt-85 -44.29 153.72 0.43 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.579 0.704 . . . . 0.0 110.881 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 2.85 3.16 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.702 2.268 . . . . 0.0 112.35 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.569 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 56.6 m-70 -153.72 121.09 5.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -131.04 145.48 52.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.3 t -79.56 153.42 29.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 -103.37 -36.52 7.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.574 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 26.8 mp0 -57.57 -66.53 0.45 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.8 p -98.84 -42.45 7.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.48 15.07 7.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -75.71 125.23 28.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.774 0.321 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.6 m -100.85 153.34 19.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 7.2 m-85 -131.85 178.57 6.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 70.4 mt -88.75 -44.54 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -113.05 142.64 45.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.569 ' HB3' ' CE1' ' A' ' 13' ' ' HIS . 91.3 p -53.97 -31.27 50.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.04 -40.14 88.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.085 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 30.9 m170 -62.32 -43.28 99.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.861 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 tp -72.04 -56.92 4.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.934 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.6 mt -43.89 -31.79 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -80.31 -36.67 33.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.501 ' O ' ' N ' ' A' ' 33' ' ' ARG . 75.9 t60 -63.97 -56.93 11.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 31' ' ' HIS . 54.9 mt-30 -36.96 -28.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 31' ' ' HIS . 62.4 mtp180 -66.2 -46.49 77.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 31' ' ' HIS . 1.3 pp -57.74 -16.78 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.098 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.574 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 17.1 m-70 -82.78 -40.9 19.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 36' ' ' THR . 15.2 t -125.78 117.2 22.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -170.93 -36.93 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.526 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.418 ' C ' ' HD3' ' A' ' 40' ' ' PRO . 29.7 mp0 -83.45 37.6 0.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.91 0.386 . . . . 0.0 110.869 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.5 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 0.0 OUTLIER 37.65 51.1 2.23 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.563 0.697 . . . . 0.0 110.875 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.8 Cg_endo -69.79 1.21 4.66 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.714 2.276 . . . . 0.0 112.356 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.9 p -129.8 135.56 48.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -42.7 166.13 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.517 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 175.62 7.86 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.71 2.273 . . . . 0.0 112.363 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.1 t -81.96 146.54 29.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.1 m -92.2 138.78 31.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.844 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.104 -0.831 . . . . 0.0 112.505 -179.976 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.2 p -57.05 151.43 15.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.817 0.341 . . . . 0.0 110.888 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.7 p -100.15 151.05 21.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.53 -133.99 4.9 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.453 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m -164.53 119.97 1.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.913 0.387 . . . . 0.0 110.857 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 m -86.15 93.54 9.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.801 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.03 -126.46 7.1 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.459 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 73.2 p 48.22 35.77 5.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.842 0.353 . . . . 0.0 111.144 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 137.73 38.04 0.14 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -86.96 138.21 31.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.823 0.344 . . . . 0.0 110.937 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.424 ' HD3' ' C ' ' A' ' 22' ' ' PHE . 42.0 mtt180 -132.52 143.79 50.25 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.612 0.72 . . . . 0.0 110.86 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -4.78 14.76 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.659 2.239 . . . . 0.0 112.303 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -137.3 123.92 21.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.5 tttt -137.4 130.36 30.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.9 t -59.63 118.86 6.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -91.91 21.39 4.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -111.48 -39.46 4.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.0 p -125.26 -40.58 2.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 132.83 -7.43 5.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.493 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.422 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -54.79 167.42 0.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.781 0.324 . . . . 0.0 110.922 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 m -144.98 149.87 35.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.424 ' C ' ' HD3' ' A' ' 11' ' ' ARG . 33.1 m-85 -140.56 164.4 30.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.6 mt -84.51 -54.48 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.133 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -97.3 141.82 29.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 83.5 p -53.34 -49.23 67.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.55 -44.11 12.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.094 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 46.0 m170 -56.36 -51.57 67.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 31' ' ' HIS . 63.6 tp -65.62 -54.99 20.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.1 mt -40.57 -33.04 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -81.82 -34.43 30.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.629 ' O ' HG23 ' A' ' 34' ' ' ILE . 22.1 t60 -71.8 -48.16 48.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -48.17 -28.35 2.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 67.7 mtm180 -54.78 -39.89 68.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.629 HG23 ' O ' ' A' ' 31' ' ' HIS . 4.4 pt -55.09 -18.88 3.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.156 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.52 ' NE2' HD11 ' A' ' 34' ' ' ILE . 83.0 m-70 -109.4 -35.05 6.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.843 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.66 53.34 2.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -94.69 -74.35 1.24 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.463 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -90.46 138.11 31.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.925 0.393 . . . . 0.0 110.893 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -71.11 152.11 94.72 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.577 0.704 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.8 165.25 31.65 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.695 2.263 . . . . 0.0 112.293 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.2 p -93.51 146.65 23.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 177.65 -159.47 25.42 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.52 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 126.13 12.94 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.633 2.222 . . . . 0.0 112.324 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.7 m -86.9 -52.72 5.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.2 m -78.04 128.4 33.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.479 -179.997 . . . . . . . . 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 -0.366 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.2 m 44.11 42.47 4.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.915 0.388 . . . . 0.0 110.899 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.3 t -76.37 128.92 35.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.06 73.56 0.21 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.555 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.6 m -101.09 109.12 20.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.826 0.346 . . . . 0.0 110.887 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -94.2 99.77 11.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.69 123.47 0.72 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.487 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 85.2 m -127.79 -51.15 1.35 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.816 0.341 . . . . 0.0 111.097 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.31 149.75 21.58 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.493 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.73 147.32 24.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.821 0.343 . . . . 0.0 110.929 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -106.02 153.67 40.04 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.597 0.713 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.57 ' HG2' ' CD2' ' A' ' 13' ' ' HIS . 53.6 Cg_endo -69.74 2.79 3.2 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.695 2.264 . . . . 0.0 112.36 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.572 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 28.5 m-70 -141.83 110.24 6.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.6 tttt -127.82 142.54 51.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.426 ' HA ' HD11 ' A' ' 28' ' ' LEU . 44.0 t -75.46 135.35 40.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 -97.71 20.99 11.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.521 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 27.0 mm-40 -118.89 -52.13 2.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.1 p -109.38 -43.5 4.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.1 15.57 4.66 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.464 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -80.17 131.71 35.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.811 0.338 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 72.7 p -106.11 149.72 26.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.836 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -133.15 167.31 20.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.6 mt -86.19 -44.89 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -106.82 138.42 43.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.572 ' HB3' ' CE1' ' A' ' 13' ' ' HIS . 98.4 p -51.38 -52.18 48.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -41.55 -43.66 2.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 54.6 m170 -57.87 -49.28 77.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.426 HD11 ' HA ' ' A' ' 15' ' ' CYS . 58.1 tp -68.99 -56.62 7.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 83.1 mt -41.85 -34.35 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -85.2 -43.89 13.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.649 ' O ' HG23 ' A' ' 34' ' ' ILE . 13.0 t60 -55.96 -43.73 77.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.833 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.575 ' O ' HG23 ' A' ' 36' ' ' THR . 73.8 mt-30 -50.25 -19.59 0.84 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 56.2 mtp85 -65.38 -33.83 76.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.649 HG23 ' O ' ' A' ' 31' ' ' HIS . 8.0 pt -55.4 -15.03 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.092 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.521 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 75.0 m-70 -112.39 -39.39 4.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 32' ' ' GLN . 73.6 p -41.79 -31.61 0.33 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.18 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -120.15 88.41 0.43 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.491 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -101.35 164.3 11.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.93 0.395 . . . . 0.0 110.844 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -71.61 133.21 84.85 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.574 0.702 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -32.71 18.03 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.714 2.276 . . . . 0.0 112.323 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.4 p -78.12 143.89 36.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 143.42 -72.59 0.37 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 172.66 12.25 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.651 2.234 . . . . 0.0 112.355 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.2 t 63.04 42.0 7.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 m -83.66 -51.37 7.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.844 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.183 -0.787 . . . . 0.0 112.505 -179.975 . . . . . . . . 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 -0.33 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.7 t -130.46 -43.95 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.826 0.346 . . . . 0.0 110.849 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.9 t -68.58 107.24 2.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.7 136.98 13.19 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.437 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 t -79.22 159.3 27.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.858 0.361 . . . . 0.0 110.88 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -108.52 -63.3 1.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 57.56 46.69 91.76 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.456 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.9 m -97.78 141.97 30.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.884 0.373 . . . . 0.0 111.135 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.28 139.01 14.99 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.524 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -81.22 89.77 6.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.884 0.373 . . . . 0.0 110.952 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -137.4 156.13 75.25 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.598 0.713 . . . . 0.0 110.876 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.527 ' HG2' ' CD2' ' A' ' 13' ' ' HIS . 53.5 Cg_endo -69.78 2.2 3.76 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.687 2.258 . . . . 0.0 112.358 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.545 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 15.2 m-70 -150.7 127.42 10.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.5 tttt -138.73 138.36 37.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.5 t -70.72 124.83 25.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -87.57 22.01 2.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.405 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 10.4 mm-40 -119.14 -60.29 1.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -96.22 -41.88 8.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.73 14.37 6.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.5 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.4 mttm -75.06 174.16 9.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.754 0.312 . . . . 0.0 110.936 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.9 p -143.37 144.03 31.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -127.34 169.1 13.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 33.3 mt -84.55 -40.55 15.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.153 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -116.55 150.41 38.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.955 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.545 ' HB3' ' CE1' ' A' ' 13' ' ' HIS . 67.5 p -61.98 -33.5 74.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.28 -44.41 92.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.09 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 41.1 m170 -61.08 -37.23 81.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.843 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.405 HD22 ' HB3' ' A' ' 13' ' ' HIS . 51.3 tp -73.34 -50.11 23.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 39.3 mt -52.26 -28.45 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.172 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -86.38 -19.54 29.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.942 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.506 ' O ' ' N ' ' A' ' 33' ' ' ARG . 56.6 t60 -85.5 -65.52 1.0 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 31' ' ' HIS . 82.7 mt-30 -34.95 -31.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 31' ' ' HIS . 42.8 mtt180 -53.01 -49.59 65.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.436 HG13 ' N ' ' A' ' 35' ' ' HIS . 4.3 pt -44.83 -21.91 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.099 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.436 ' N ' HG13 ' A' ' 34' ' ' ILE . 96.4 m-70 -91.82 -58.19 2.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 36' ' ' THR . 15.3 t -87.63 42.61 1.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -82.89 -93.14 0.6 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.513 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -52.21 156.2 1.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.92 0.39 . . . . 0.0 110.873 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.61 80.83 1.0 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.572 0.701 . . . . 0.0 110.902 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 112.79 3.18 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.702 2.268 . . . . 0.0 112.363 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.5 m -142.45 136.41 29.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -147.12 -90.62 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.487 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -16.4 37.5 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.646 2.23 . . . . 0.0 112.353 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.4 t -106.98 115.22 29.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.5 m -108.01 -55.59 2.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.847 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.493 179.99 . . . . . . . . 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 1.451 -0.315 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.5 p -87.75 42.44 1.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 0.0 110.813 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.9 p -171.66 126.65 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.812 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.67 87.43 1.06 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.485 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.3 p -134.62 102.82 5.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.825 0.345 . . . . 0.0 110.879 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.9 p -170.28 149.52 3.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.49 97.19 0.11 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.486 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.6 m -71.35 92.55 1.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.834 0.349 . . . . 0.0 111.12 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 160.08 72.47 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.457 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -105.87 126.83 52.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.882 0.372 . . . . 0.0 110.853 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -65.45 152.41 92.32 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.6 0.714 . . . . 0.0 110.876 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 2.62 3.39 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.686 2.257 . . . . 0.0 112.348 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.486 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 78.4 m-70 -146.04 111.74 5.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.0 tttm -127.92 144.04 51.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.9 t -81.61 124.21 29.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -88.23 21.98 2.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -118.6 -53.76 2.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.9 p -105.15 -46.75 4.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.73 21.4 3.58 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.539 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.3 mttp -90.96 126.94 36.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.793 0.33 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 79.2 p -100.43 142.65 31.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.823 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -123.71 171.29 9.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.425 ' N ' HD12 ' A' ' 23' ' ' ILE . 5.1 mp -89.72 -54.93 6.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -101.64 135.63 42.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.486 ' HB3' ' CE1' ' A' ' 13' ' ' HIS . 82.5 p -47.4 -44.38 24.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.04 -40.23 30.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.127 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 50.9 m170 -60.43 -51.66 68.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.9 tp -64.25 -52.02 60.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 73.5 mt -49.11 -31.0 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 55.5 mm-40 -86.24 -21.57 27.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.511 ' O ' ' N ' ' A' ' 33' ' ' ARG . 35.5 t60 -83.32 -62.2 1.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 31' ' ' HIS . 48.3 mt-30 -35.99 -29.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 31' ' ' HIS . 63.6 mtt-85 -54.76 -48.91 72.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.461 HG13 ' N ' ' A' ' 35' ' ' HIS . 4.2 pt -44.75 -22.76 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.174 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.461 ' N ' HG13 ' A' ' 34' ' ' ILE . 87.9 m-70 -87.71 -74.97 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.1 t -43.93 -39.89 4.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 41.91 -165.03 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.553 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -107.19 106.25 16.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.925 0.393 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.2 mttp -106.0 156.88 35.98 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.608 0.718 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -15.9 37.32 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.726 2.284 . . . . 0.0 112.312 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.1 m -44.75 162.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.854 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -114.04 65.1 0.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.545 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -178.96 2.6 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.717 2.278 . . . . 0.0 112.328 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 79.4 p -89.53 29.16 1.16 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 94.5 p -82.62 -46.88 12.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.844 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.466 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.6 p -138.89 172.78 12.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.906 0.384 . . . . 0.0 110.862 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.4 p -154.62 169.63 23.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 151.63 -119.36 0.98 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 4' ' ' GLY . 58.4 p 35.27 40.71 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.853 0.359 . . . . 0.0 110.887 -179.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.4 p -125.24 154.41 41.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.39 53.19 0.13 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.0 t -154.95 142.66 19.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.881 0.372 . . . . 0.0 111.108 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 154.05 60.34 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.427 ' H ' ' CD ' ' A' ' 10' ' ' GLU . 1.0 OUTLIER -76.25 133.48 40.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 0.0 110.863 -179.856 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.43 ' HD3' ' C ' ' A' ' 22' ' ' PHE . 95.6 mtt180 -124.53 147.21 54.85 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.594 0.711 . . . . 0.0 110.861 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 2.83 3.18 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.651 2.234 . . . . 0.0 112.34 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.571 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 69.5 m-70 -145.15 124.26 12.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.859 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.6 tttt -139.47 140.5 37.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.7 t -80.22 159.66 25.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -108.91 -40.41 5.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.547 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 14.7 mm-40 -53.41 -55.58 23.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.8 p -109.37 -42.63 4.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.59 17.7 6.9 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.471 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.7 mttm -78.85 127.82 32.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.775 0.321 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.2 m -106.72 154.51 20.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.465 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 2.9 m-85 -135.82 173.98 11.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.3 mt -84.37 -56.21 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.147 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -99.01 140.52 33.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.571 ' HB3' ' CE1' ' A' ' 13' ' ' HIS . 74.1 p -52.43 -39.34 60.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.78 -40.53 66.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.117 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 37.5 m170 -61.65 -43.54 98.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.421 HD22 ' HB3' ' A' ' 13' ' ' HIS . 58.1 tp -71.96 -57.89 3.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 73.2 mt -40.57 -34.51 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -81.25 -39.72 24.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.514 ' O ' ' N ' ' A' ' 33' ' ' ARG . 15.9 t60 -61.23 -64.37 0.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 31' ' ' HIS . 57.2 mt-30 -35.79 -29.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.514 ' N ' ' O ' ' A' ' 31' ' ' HIS . 14.3 mmm180 -54.25 -49.07 70.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.475 HG13 ' N ' ' A' ' 35' ' ' HIS . 4.3 pt -44.7 -23.47 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.147 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.547 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 56.4 m-70 -82.02 -64.14 1.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.822 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 33' ' ' ARG . 15.1 t -80.83 168.33 18.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 116.82 -142.84 17.76 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.424 ' C ' ' HD3' ' A' ' 40' ' ' PRO . 13.2 pt-20 -96.76 150.27 20.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.905 0.383 . . . . 0.0 110.869 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.536 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 14.8 ttpp 43.0 48.28 3.63 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.597 0.713 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 54.0 Cg_endo -69.75 133.42 25.54 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.685 2.257 . . . . 0.0 112.323 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.5 t -64.66 159.01 22.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.823 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.76 -176.45 46.98 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -21.87 33.02 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.677 2.251 . . . . 0.0 112.359 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 71.5 p -116.9 92.43 3.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.6 m -81.11 45.14 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.175 -0.792 . . . . 0.0 112.501 -179.971 . . . . . . . . 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 1.45 -0.377 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -102.2 137.17 40.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.898 0.38 . . . . 0.0 110.87 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.8 p -62.18 168.45 3.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.83 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.7 41.75 2.1 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.443 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.2 t -75.61 -51.75 12.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.917 0.389 . . . . 0.0 110.882 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.0 p -50.87 174.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.28 57.85 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.51 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 70.9 p -104.54 42.85 1.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.882 0.372 . . . . 0.0 111.211 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.83 161.0 28.72 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -110.35 144.66 38.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.887 0.375 . . . . 0.0 110.837 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 57.5 mtt-85 -88.46 154.85 51.37 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.656 0.741 . . . . 0.0 110.849 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.438 ' HG2' ' CD2' ' A' ' 13' ' ' HIS . 53.8 Cg_endo -69.76 1.93 3.99 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.717 2.278 . . . . 0.0 112.348 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.758 ' HB3' HD22 ' A' ' 28' ' ' LEU . 56.7 m-70 -144.05 131.18 20.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -141.1 149.12 41.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 19' ' ' GLY . 24.5 t -101.22 84.33 2.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -45.06 -31.45 1.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -51.23 -63.53 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.8 p -107.53 -40.14 5.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 122.09 15.03 4.38 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.7 mmtt -79.05 137.11 37.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 89.0 p -116.89 155.67 28.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -140.64 173.61 11.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.5 mp -90.09 -54.3 7.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -101.4 157.27 16.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 72.3 m -61.46 -50.85 71.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.67 -43.43 8.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.081 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 57.1 m170 -58.25 -49.21 77.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.758 HD22 ' HB3' ' A' ' 13' ' ' HIS . 66.4 tp -67.91 -56.57 8.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 56.8 mt -42.09 -33.76 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.417 ' NE2' ' HA ' ' A' ' 30' ' ' GLN . 7.5 mm-40 -79.51 -31.75 42.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.952 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.519 ' O ' ' N ' ' A' ' 33' ' ' ARG . 41.7 t60 -73.38 -60.86 2.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 31' ' ' HIS . 67.4 mt-30 -35.5 -30.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 31' ' ' HIS . 54.7 mtp180 -54.3 -49.25 70.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.756 HD11 ' NE2' ' A' ' 35' ' ' HIS . 4.3 pt -44.93 -21.45 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.1 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.756 ' NE2' HD11 ' A' ' 34' ' ' ILE . 75.9 m-70 -106.56 -40.93 5.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.54 60.3 4.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.53 91.54 0.93 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.46 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.431 ' C ' ' HD3' ' A' ' 40' ' ' PRO . 7.7 tt0 -126.52 36.48 4.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.914 0.388 . . . . 0.0 110.876 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.566 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 0.6 OUTLIER 44.98 47.32 3.66 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.564 0.697 . . . . 0.0 110.875 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.566 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.8 Cg_endo -69.73 -174.24 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.702 2.268 . . . . 0.0 112.37 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.4 p -114.44 75.42 0.93 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.17 80.35 1.04 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.471 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.67 -17.38 38.0 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.707 2.271 . . . . 0.0 112.329 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.3 m -84.91 87.09 7.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.821 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.8 t -87.72 -45.15 10.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.907 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.107 -0.829 . . . . 0.0 112.519 -179.982 . . . . . . . . 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 -0.317 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.3 p -171.15 169.18 6.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.845 0.355 . . . . 0.0 110.872 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.4 p -174.48 121.03 0.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.815 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.3 148.92 8.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.525 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.4 p -117.91 167.52 11.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.874 0.369 . . . . 0.0 110.874 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.2 p -125.47 112.39 16.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.62 163.03 30.08 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.464 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.2 p -49.27 123.96 8.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.837 0.351 . . . . 0.0 111.114 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 164.32 97.33 0.12 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.474 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -141.21 148.6 40.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.836 0.351 . . . . 0.0 110.867 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -54.25 153.61 9.36 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.613 0.721 . . . . 0.0 110.863 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 1.81 4.09 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.711 2.274 . . . . 0.0 112.321 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.416 ' HB3' HD22 ' A' ' 28' ' ' LEU . 69.4 m-70 -149.29 109.88 4.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.446 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 30.2 tttt -123.27 145.72 48.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.446 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 42.3 t -83.87 158.6 21.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -108.1 -33.25 7.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.942 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.455 ' HG3' ' CB ' ' A' ' 35' ' ' HIS . 44.7 mm-40 -59.13 -68.22 0.29 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -93.14 -42.29 9.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.96 17.73 7.2 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -86.61 141.13 29.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.812 0.339 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 m -114.94 162.2 17.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.508 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 11.6 m-85 -138.49 169.94 16.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.573 HG22 HE21 ' A' ' 24' ' ' GLN . 57.5 mt -75.02 -60.47 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.116 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.573 HE21 HG22 ' A' ' 23' ' ' ILE . 13.4 mm-40 -102.0 153.71 19.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 64.0 p -56.88 -49.03 76.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.84 -41.4 5.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 53.9 m170 -61.65 -43.27 99.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 31' ' ' HIS . 42.4 tp -73.11 -56.1 5.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.1 mt -40.99 -33.88 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.1 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 60.0 mm-40 -85.9 -31.1 22.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.653 ' O ' HG23 ' A' ' 34' ' ' ILE . 10.9 t60 -71.17 -50.42 33.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.628 ' O ' HG23 ' A' ' 36' ' ' THR . 95.4 mt-30 -49.29 -19.64 0.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 51.8 mtt180 -64.91 -35.1 80.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.726 HD11 ' CE1' ' A' ' 35' ' ' HIS . 10.8 pt -52.39 -15.72 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.726 ' CE1' HD11 ' A' ' 34' ' ' ILE . 28.0 m-70 -111.35 -34.71 6.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.834 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.628 HG23 ' O ' ' A' ' 32' ' ' GLN . 38.8 p -54.95 154.39 5.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.154 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.8 -89.34 1.6 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.447 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -58.82 134.3 56.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.932 0.396 . . . . 0.0 110.894 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.5 tttp -114.88 130.4 24.21 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.578 0.704 . . . . 0.0 110.928 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 154.88 67.52 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.716 2.277 . . . . 0.0 112.367 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.7 p -95.1 159.44 15.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 169.77 -95.03 0.11 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.466 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -177.09 1.7 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.657 2.238 . . . . 0.0 112.331 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 t -89.47 -58.96 2.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 t -167.14 172.55 9.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.45 -179.971 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.3 m -141.0 165.25 28.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.913 0.387 . . . . 0.0 110.856 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.6 m -135.51 166.27 23.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.889 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.31 125.03 6.34 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.463 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.6 p -128.8 132.72 47.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 110.869 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.1 m -119.73 134.83 55.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.799 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.63 102.18 1.27 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.513 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.2 p -126.87 6.66 6.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.859 0.361 . . . . 0.0 111.154 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.89 -168.76 39.67 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.532 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -120.37 95.28 4.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.845 0.355 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.408 ' HD3' ' C ' ' A' ' 22' ' ' PHE . 53.4 mtt180 -52.81 158.54 2.17 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.575 0.702 . . . . 0.0 110.865 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.517 ' HG2' ' CD2' ' A' ' 13' ' ' HIS . 53.4 Cg_endo -69.81 2.1 3.86 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.619 2.213 . . . . 0.0 112.328 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.552 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 23.9 m-70 -138.73 118.14 12.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -136.9 141.27 42.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.5 t -79.04 153.28 30.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -99.89 -30.44 12.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.533 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 0.7 OUTLIER -64.61 -63.69 1.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.3 p -98.4 -48.49 5.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.63 16.66 4.97 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.45 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.6 mttm -73.13 133.56 44.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.75 0.309 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.8 p -102.83 150.15 23.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.826 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.408 ' C ' ' HD3' ' A' ' 11' ' ' ARG . 32.4 m-85 -134.94 161.35 35.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.3 mt -77.48 -43.04 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.42 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 92.3 mt-30 -112.34 143.67 43.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.552 ' HB3' ' CE1' ' A' ' 13' ' ' HIS . 72.2 p -56.31 -49.96 72.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.73 -47.16 7.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.112 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.42 ' CE1' ' HB2' ' A' ' 24' ' ' GLN . 29.9 m170 -56.85 -43.63 81.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.2 tp -68.75 -49.97 54.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 15.8 mt -56.12 -27.76 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -88.03 -14.31 39.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.477 ' O ' ' N ' ' A' ' 33' ' ' ARG . 24.2 t60 -87.97 -54.07 4.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -40.6 -24.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 31' ' ' HIS . 17.7 mtp85 -59.86 -44.8 93.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.813 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.406 HG12 ' O ' ' A' ' 31' ' ' HIS . 8.7 pt -48.83 -18.47 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.533 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 84.8 m-70 -91.37 -68.01 0.82 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.413 HG23 ' O ' ' A' ' 36' ' ' THR . 10.0 t -63.46 124.58 21.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 38' ' ' GLU . . . -140.78 164.31 26.41 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.427 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 37' ' ' GLY . 16.3 mt-10 -37.17 118.54 0.62 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.973 0.416 . . . . 0.0 110.888 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.65 141.17 65.44 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.617 0.722 . . . . 0.0 110.856 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -50.77 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.72 2.28 . . . . 0.0 112.349 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.5 t -99.87 90.98 4.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 169.06 85.49 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.487 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 98.56 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.676 2.251 . . . . 0.0 112.392 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.6 m -50.4 122.28 6.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 t 45.29 44.24 8.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.073 -0.848 . . . . 0.0 112.509 -179.983 . . . . . . . . 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 1.452 -0.298 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -168.54 119.8 0.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.903 0.382 . . . . 0.0 110.86 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.1 p -65.16 152.54 43.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.83 51.98 0.68 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.461 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -107.21 97.7 7.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 0.0 110.872 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.2 t -154.74 139.22 16.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.66 107.72 0.31 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.495 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.0 m -39.43 -61.5 0.79 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.789 0.328 . . . . 0.0 111.17 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.27 90.07 2.1 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.476 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -127.48 158.38 37.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.808 0.337 . . . . 0.0 110.89 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -115.77 146.67 37.34 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.609 0.719 . . . . 0.0 110.843 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.485 ' HG2' ' CD2' ' A' ' 13' ' ' HIS . 53.6 Cg_endo -69.75 -4.5 14.15 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.648 2.232 . . . . 0.0 112.363 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.569 ' CE1' ' HB2' ' A' ' 25' ' ' SER . 11.8 m-70 -122.49 131.99 54.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -141.79 145.28 34.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.4 t -85.1 161.34 19.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -107.71 -39.09 5.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.558 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 2.1 mp0 -58.18 -56.23 24.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -103.83 -45.84 4.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.03 20.92 6.53 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.445 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -81.85 139.59 34.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.821 0.343 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 87.8 p -106.95 143.53 34.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.833 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -125.33 145.31 50.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.761 ' H ' HD12 ' A' ' 23' ' ' ILE . 5.0 mp -56.39 -50.24 73.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.103 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.449 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 72.1 mt-30 -111.98 145.3 39.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.569 ' HB2' ' CE1' ' A' ' 13' ' ' HIS . 15.3 t -55.59 -53.56 54.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.817 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -38.82 -41.95 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.055 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' A' ' 24' ' ' GLN . 22.7 m170 -62.17 -41.33 98.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 25' ' ' SER . 59.7 tp -70.13 -55.65 8.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 78.1 mt -44.95 -32.8 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.115 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -84.83 -29.55 25.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.519 ' O ' ' N ' ' A' ' 33' ' ' ARG . 22.3 t60 -72.89 -57.85 3.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 31' ' ' HIS . 79.9 mt-30 -37.79 -26.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.952 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 31' ' ' HIS . 15.2 mtp-105 -57.92 -47.66 82.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.436 HG13 ' N ' ' A' ' 35' ' ' HIS . 4.2 pt -44.57 -21.43 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.558 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 91.6 m-70 -88.68 -58.34 2.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.843 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.721 HG23 ' O ' ' A' ' 36' ' ' THR . 9.0 t -84.95 85.4 7.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.122 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -167.73 -87.68 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.433 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -83.06 111.07 18.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.941 0.401 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -135.8 143.94 46.68 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.572 0.701 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -20.22 35.09 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.664 2.242 . . . . 0.0 112.38 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.2 m 40.81 41.57 1.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 63.98 175.78 3.98 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.453 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -178.29 2.28 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.71 2.273 . . . . 0.0 112.317 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 m -127.33 41.91 3.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.8 m -113.05 81.32 1.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.451 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.9 t -159.4 112.67 2.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.864 0.364 . . . . 0.0 110.872 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -174.85 133.36 0.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.822 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.94 78.47 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.447 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.2 t -173.63 112.57 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 110.84 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.2 m -78.07 -49.23 14.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.845 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.73 124.11 2.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.7 p -77.6 122.25 25.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.815 0.341 . . . . 0.0 111.162 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.32 -47.21 72.88 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.467 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 70.72 38.36 1.25 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.808 0.337 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.2 mtt180 -145.27 143.82 21.45 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.621 0.724 . . . . 0.0 110.841 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -0.46 6.96 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.617 2.211 . . . . 0.0 112.334 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.512 ' CE1' ' HB2' ' A' ' 25' ' ' SER . 42.4 m-70 -135.53 109.41 8.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.84 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -124.51 138.04 54.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.2 t -76.67 124.34 27.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -91.19 12.94 18.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -105.03 -40.1 6.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.1 p -126.66 -39.86 1.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.65 13.45 5.14 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.516 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -87.42 126.86 35.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.776 0.322 . . . . 0.0 110.935 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.484 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 4.2 m -109.56 162.44 14.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.484 ' CD1' ' C ' ' A' ' 21' ' ' SER . 2.8 m-85 -141.13 152.7 44.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 17.3 mt -59.61 -53.1 53.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -105.42 154.57 20.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.512 ' HB2' ' CE1' ' A' ' 13' ' ' HIS . 26.6 t -61.34 -53.65 53.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -39.34 -43.19 1.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.142 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 61.8 m170 -60.43 -38.93 85.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.824 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 25' ' ' SER . 59.3 tp -76.94 -55.64 5.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 90.1 mt -39.9 -33.76 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.103 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -80.57 -42.65 21.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.509 ' O ' ' N ' ' A' ' 33' ' ' ARG . 47.2 t60 -61.65 -55.04 34.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -38.71 -25.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.509 ' N ' ' O ' ' A' ' 31' ' ' HIS . 71.2 mtp180 -58.9 -46.65 87.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.722 HD11 ' NE2' ' A' ' 35' ' ' HIS . 3.8 pt -50.24 -17.32 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.722 ' NE2' HD11 ' A' ' 34' ' ' ILE . 82.8 m-70 -110.97 -35.72 5.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.4 p -91.23 130.03 37.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 128.12 124.22 2.66 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.482 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 72.91 35.73 0.96 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.948 0.404 . . . . 0.0 110.923 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -117.22 143.58 32.12 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.608 0.718 . . . . 0.0 110.924 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -7.95 22.37 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.683 2.255 . . . . 0.0 112.356 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.1 t -116.56 151.26 36.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 61.74 143.39 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.444 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 139.61 40.5 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.673 2.249 . . . . 0.0 112.312 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.8 t -51.63 -44.8 63.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 34.9 t -73.81 131.31 41.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.848 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.516 -179.996 . . . . . . . . 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 1.452 -0.284 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t 43.65 42.27 4.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.853 0.358 . . . . 0.0 110.81 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.8 p -60.4 108.46 0.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.36 41.22 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.532 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.9 m -87.37 172.77 9.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.88 0.372 . . . . 0.0 110.853 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.7 m -97.82 87.36 4.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.825 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.29 114.36 0.72 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.509 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.1 m -126.27 116.15 20.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.846 0.355 . . . . 0.0 111.158 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -150.99 112.55 0.54 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.515 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -63.72 113.19 3.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.893 0.378 . . . . 0.0 110.85 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.9 mmm180 -79.76 153.41 75.53 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.625 0.726 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 2.92 3.11 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.683 2.256 . . . . 0.0 112.323 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -150.18 108.11 3.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.455 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 27.5 tttt -122.42 144.67 48.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.455 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 48.5 t -83.42 162.65 20.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -113.12 -37.66 4.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.573 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 53.4 mm-40 -56.92 -57.68 11.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -105.03 -43.26 5.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.57 17.43 6.54 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.511 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -81.61 138.87 35.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.811 0.339 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.3 m -112.3 159.61 18.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -137.86 -179.91 6.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.464 ' N ' HD12 ' A' ' 23' ' ' ILE . 4.5 mp -89.36 -49.52 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -107.22 166.35 10.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 85.3 p -74.3 -34.73 63.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.37 -36.41 77.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.092 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 45.0 m170 -63.21 -47.34 82.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.6 tp -71.07 -49.93 39.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 57.7 mt -48.15 -31.2 2.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -87.47 -20.4 26.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.526 ' O ' ' N ' ' A' ' 33' ' ' ARG . 25.0 t60 -82.43 -60.37 2.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 31' ' ' HIS . 83.9 mt-30 -37.14 -27.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 31' ' ' HIS . 42.2 mtp180 -56.92 -47.98 79.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.857 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.478 HD11 ' CE1' ' A' ' 35' ' ' HIS . 4.1 pt -45.06 -21.35 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.573 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 67.9 m-70 -93.54 -42.19 9.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.4 t -125.47 121.0 32.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.136 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 156.97 -53.86 0.4 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.429 ' C ' ' HD3' ' A' ' 40' ' ' PRO . 12.5 mt-10 -109.09 132.32 54.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.942 0.401 . . . . 0.0 110.903 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.58 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 15.6 mmmt 47.43 46.1 3.26 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.605 0.716 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.6 Cg_endo -69.81 141.03 43.93 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.66 2.24 . . . . 0.0 112.339 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.1 t -66.63 152.69 44.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -142.9 -98.16 0.28 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.537 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -14.49 36.28 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.682 2.254 . . . . 0.0 112.345 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 79.7 p -71.5 87.12 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.807 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.3 t -170.8 123.9 0.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 CA-C-O 119.18 -0.789 . . . . 0.0 112.48 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_