data_2emk_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 2emk _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' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? . . . . . 0 C--O 1.232 0.167 0 CA-C-O 121.56 0.695 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 0.91 4.94 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.678 2.252 . . . . 0.0 112.327 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.501 ' CZ ' HG22 ' A' ' 25' ' ' THR . 10.6 m-85 -113.74 109.11 18.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.946 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -141.14 133.23 27.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.9 t -64.41 126.24 27.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.2 mtpt -93.64 24.15 4.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -117.19 -37.37 3.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -127.04 -42.24 1.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.35 70.51 0.51 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.6 ttmm -137.04 124.3 21.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.798 0.332 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.94 132.69 44.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -120.93 155.7 33.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.1 t -97.36 22.12 9.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -155.57 119.57 4.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.501 HG22 ' CZ ' ' A' ' 13' ' ' TYR . 41.0 p -49.99 -41.28 46.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.167 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.95 -31.62 72.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -66.73 -44.47 81.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.5 tp -61.09 -45.72 93.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.4 mt -62.11 -36.43 74.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -69.29 -47.2 65.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.943 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 61.1 t60 -51.49 -44.53 62.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 43.8 mm-40 -44.72 -31.83 1.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 43.4 mtt-85 -48.04 -44.32 30.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.838 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 20.7 m -61.09 -27.74 42.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 179.946 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.406 ' CD ' ' HA ' ' A' ' 23' ' ' SER . 18.7 mtmt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 121.631 0.729 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 1.31 4.59 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.627 2.218 . . . . 0.0 112.347 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -117.47 113.59 22.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.933 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -139.89 143.26 36.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.4 t -76.37 123.01 25.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -87.98 21.24 2.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.501 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 2.2 mm-40 -113.94 -33.39 5.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.8 p -131.7 -43.17 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.851 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.23 54.46 0.38 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -123.94 128.57 49.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.795 0.331 . . . . 0.0 110.86 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.14 138.99 34.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.062 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -124.84 129.98 51.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.406 ' HA ' ' CD ' ' A' ' 11' ' ' LYS . 96.6 p -51.23 -43.14 61.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -107.47 148.13 29.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.946 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.9 p -62.89 -52.64 62.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.469 HG21 ' N ' ' A' ' 27' ' ' HIS . 9.0 t -44.09 -34.65 1.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.18 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.469 ' N ' HG21 ' A' ' 26' ' ' THR . 10.9 m170 -65.23 -42.32 93.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.4 tp -72.96 -53.84 10.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.6 mt -46.68 -44.36 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.127 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -71.1 -42.97 68.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 57.2 t60 -57.52 -37.08 72.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -58.52 -13.63 6.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.9 mmt85 -68.6 -29.13 67.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.2 m -70.55 -18.94 21.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.151 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.501 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 97.3 m-70 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 121.563 0.696 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 2.63 3.36 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.318 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.421 ' CZ ' ' OG1' ' A' ' 25' ' ' THR . 60.0 m-85 -139.4 131.99 28.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.859 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -157.96 147.54 19.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.0 t -80.33 120.4 24.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.68 32.56 0.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -125.28 -33.06 2.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.3 p -132.48 -41.66 0.96 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.93 65.93 0.45 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.514 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.35 119.02 20.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.819 0.342 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.84 138.7 33.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.531 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 55.9 m-85 -126.74 129.95 49.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 81.6 p -49.84 -41.14 44.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -110.77 153.61 25.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.421 ' OG1' ' CZ ' ' A' ' 13' ' ' TYR . 18.7 m -65.01 -52.63 54.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.5 t -47.21 -41.46 18.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -55.89 -43.65 77.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.79 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.518 HD13 ' CE1' ' A' ' 22' ' ' PHE . 36.2 tp -66.85 -54.44 22.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.5 mt -46.63 -39.58 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -71.71 -41.21 68.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.531 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 8.2 t60 -51.13 -35.1 33.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -51.25 -18.14 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 69.9 mtt180 -60.23 -42.11 94.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 18.0 m -58.12 -19.32 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.953 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.457 ' HD3' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.577 0.703 . . . . 0.0 110.919 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -8.02 22.53 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.691 2.261 . . . . 0.0 112.366 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.52 ' CE1' ' HB ' ' A' ' 25' ' ' THR . 36.9 m-85 -128.13 124.24 36.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -144.46 147.71 33.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.7 t -80.93 126.69 31.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.6 mmmt -94.29 26.36 3.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.513 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 4.1 mm-40 -121.27 -34.91 3.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.5 p -129.59 -41.09 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.1 61.02 0.45 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.443 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.5 tttm -131.37 128.55 39.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.796 0.331 . . . . 0.0 110.928 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.7 138.77 35.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.094 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.451 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 3.1 m-85 -120.94 146.67 46.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.6 t -62.48 -40.68 97.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -108.36 151.62 25.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.945 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.52 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 5.5 t -71.0 -39.76 72.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.168 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.3 t -61.08 -31.49 71.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.153 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -65.49 -41.72 92.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.827 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 55.2 tp -68.85 -28.73 66.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.939 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 8.1 mt -70.27 -41.65 78.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -71.51 -34.73 70.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.439 ' O ' ' CG2' ' A' ' 34' ' ' VAL . 21.5 t60 -68.33 -24.84 64.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -62.19 -17.32 57.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -60.72 -27.93 68.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.439 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 35.7 m -73.44 -9.84 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.513 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 86.8 m-70 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 121.572 0.701 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.521 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.8 Cg_endo -69.79 -11.59 31.12 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.686 2.257 . . . . 0.0 112.366 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.521 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 26.4 m-85 -134.71 128.87 33.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -148.28 136.75 21.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 50.7 t -69.06 117.81 11.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -88.0 39.39 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -134.35 -39.13 0.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.3 p -124.56 -41.23 2.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.7 60.33 0.4 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.539 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.4 tttp -131.62 123.14 27.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.838 0.352 . . . . 0.0 110.866 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.22 137.41 37.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.446 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 93.0 m-85 -119.63 128.97 54.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.4 p -52.42 -19.25 2.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -128.12 144.91 51.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.482 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 9.4 t -65.09 -43.31 92.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.178 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.2 t -59.06 -35.51 73.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.148 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.418 ' HB3' ' CD2' ' A' ' 22' ' ' PHE . 10.3 m170 -59.17 -38.69 80.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.2 tp -69.7 -38.33 76.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.5 mm -53.69 -47.03 62.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -72.51 -35.08 68.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.446 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 34.8 t60 -60.41 -42.37 95.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -57.8 -24.1 55.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.2 mmt85 -56.87 -33.24 66.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.8 m -64.27 -27.46 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 179.901 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 121.586 0.708 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.566 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.7 0.48 5.53 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.675 2.25 . . . . 0.0 112.375 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.572 ' CE1' ' CG2' ' A' ' 25' ' ' THR . 24.1 m-85 -137.23 131.01 31.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.953 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -153.7 150.71 28.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.9 t -91.98 102.03 14.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.2 mttm -63.92 -14.67 55.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -67.62 -59.06 3.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.6 p -112.05 -44.23 3.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.65 67.28 0.29 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.547 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 16.8 tttp -135.01 123.02 22.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.779 0.324 . . . . 0.0 110.894 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.27 144.15 28.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.083 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.547 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 46.0 m-85 -133.71 137.58 45.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.0 m -51.33 -47.53 62.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -107.92 155.78 19.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.572 ' CG2' ' CE1' ' A' ' 13' ' ' TYR . 36.7 p -62.63 -51.7 66.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.6 p -45.41 -48.19 13.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -52.45 -30.27 28.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.6 tp -82.58 -26.07 32.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.963 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.1 mm -72.93 -45.09 56.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.1 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.543 ' CG ' ' N ' ' A' ' 31' ' ' HIS . 9.6 pt20 -58.18 -50.71 72.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.543 ' N ' ' CG ' ' A' ' 30' ' ' GLN . 18.3 t60 -49.58 -48.34 48.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 31' ' ' HIS . 63.5 mm-40 -37.28 -28.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 31' ' ' HIS . 59.0 mtp180 -50.72 -47.83 59.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.819 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.2 m -54.03 -24.59 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 55.2 m-70 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.908 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.421 ' HD3' ' C ' ' A' ' 22' ' ' PHE . 38.2 mttt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 121.557 0.694 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -3.78 12.69 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.706 2.271 . . . . 0.0 112.315 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.535 ' CE1' HG21 ' A' ' 25' ' ' THR . 4.3 m-85 -119.11 115.5 24.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.894 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -138.97 146.25 40.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.6 t -79.24 115.02 18.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.01 0.08 37.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -91.47 -41.64 10.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.459 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 20.1 p -127.11 -37.17 2.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.2 69.45 0.64 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.477 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.09 124.52 26.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.818 0.342 . . . . 0.0 110.934 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.99 135.71 35.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.421 ' C ' ' HD3' ' A' ' 11' ' ' LYS . 72.2 m-85 -126.69 142.27 51.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.0 p -61.04 -38.62 86.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -113.09 138.76 49.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.535 HG21 ' CE1' ' A' ' 13' ' ' TYR . 69.1 p -56.09 -44.38 78.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.3 p -48.88 -58.37 4.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -44.14 -46.7 8.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.9 tp -58.23 -50.01 75.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.8 mt -59.09 -45.42 92.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -63.31 -24.94 68.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 37.2 t60 -78.25 -30.12 48.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.797 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -62.2 -10.91 12.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -67.58 -27.58 67.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.3 m -78.14 -19.19 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.459 ' CE1' ' HB3' ' A' ' 18' ' ' CYS . 44.0 m-70 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 121.567 0.698 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -0.38 6.88 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.676 2.251 . . . . 0.0 112.348 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -115.08 113.38 23.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -148.56 133.93 18.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.2 t -64.29 125.25 23.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -93.91 28.97 2.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -121.61 -38.17 2.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.2 p -128.53 -40.93 1.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.9 84.97 1.4 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.493 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.4 tttt -154.82 125.75 7.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.804 0.335 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.81 148.98 21.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -134.85 130.77 36.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.1 t -48.39 -46.17 36.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -107.5 158.39 17.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 85.6 m -72.71 -44.01 62.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 t -55.67 -28.29 54.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.156 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -71.26 -39.52 71.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.9 tp -68.02 -44.1 77.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 69.9 mt -58.9 -47.24 90.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.16 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.486 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 70.9 mm-40 -58.43 -41.34 84.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -61.58 -47.23 86.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -41.57 -27.72 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.486 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 32.1 mmt180 -42.37 -45.96 4.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.2 m -49.73 -39.31 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 179.926 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.587 0.708 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -3.22 11.57 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 2.242 . . . . 0.0 112.375 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -123.19 116.39 23.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.953 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -149.31 158.41 44.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 39.0 t -94.67 111.41 23.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.834 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.1 mtpt -71.23 -19.02 62.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -65.65 -53.07 46.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.4 p -112.18 -45.12 3.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.66 69.79 0.52 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.527 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.3 tttp -138.77 124.13 19.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.834 0.349 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.34 141.12 30.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -124.59 145.95 49.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.8 t -58.61 -45.37 89.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -113.37 141.25 47.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.94 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.1 m -53.39 -46.51 69.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.9 p -45.58 -40.2 8.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.177 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 43.4 m170 -61.79 -40.68 96.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.1 tp -71.07 -55.82 7.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 94.6 mt -42.93 -49.37 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.102 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -64.07 -43.01 96.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.44 ' O ' ' CG2' ' A' ' 34' ' ' VAL . 22.3 t60 -60.47 -41.28 93.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -48.36 -27.71 2.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -53.7 -38.29 64.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.44 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 32.8 m -61.27 -11.2 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.933 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.467 ' HE3' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 121.622 0.725 . . . . 0.0 110.883 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -0.04 6.32 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.692 2.261 . . . . 0.0 112.348 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.542 ' CE1' HG22 ' A' ' 25' ' ' THR . 5.6 m-85 -109.86 111.53 23.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -138.83 156.82 47.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 19' ' ' GLY . 8.5 t -93.15 78.67 4.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.411 ' C ' ' HD2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -43.23 -24.11 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' ' 15' ' ' CYS . 44.1 mm-40 -62.33 -52.54 63.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.828 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.3 p -112.05 -43.69 3.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 114.71 64.24 0.41 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.9 tttp -137.83 128.39 26.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.763 0.316 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.19 142.24 30.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.048 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -122.39 154.18 38.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 87.9 p -73.95 -20.27 60.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.859 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -134.65 138.06 44.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.542 HG22 ' CE1' ' A' ' 13' ' ' TYR . 59.4 p -52.54 -51.48 59.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.147 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.5 p -50.0 -44.75 51.26 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.599 ' CD2' ' NE2' ' A' ' 30' ' ' GLN . 3.7 t-160 -60.39 -30.95 69.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.864 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.4 tp -76.76 -30.17 56.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.936 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.3 mt -74.9 -42.59 46.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.088 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.599 ' NE2' ' CD2' ' A' ' 27' ' ' HIS . 12.6 pt20 -54.77 -46.58 74.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.471 ' O ' ' N ' ' A' ' 33' ' ' ARG . 24.3 t60 -58.6 -48.74 79.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.814 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 -40.22 -25.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 31' ' ' HIS . 12.4 mmm180 -52.6 -46.34 66.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 22.5 m -57.41 -28.6 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 56.9 m-70 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 179.982 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.6 mptt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.588 0.709 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -7.71 21.75 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.681 2.254 . . . . 0.0 112.359 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.552 ' CE1' ' HB ' ' A' ' 25' ' ' THR . 8.6 m-85 -123.95 108.21 12.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -137.33 139.49 40.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.5 t -67.15 123.12 19.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -91.19 31.87 1.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -126.55 -38.2 2.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.1 p -124.55 -42.45 2.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.51 65.76 0.46 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.499 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.1 tttp -135.75 122.71 21.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.826 0.346 . . . . 0.0 110.849 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.67 137.65 37.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.104 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -124.54 132.43 53.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.8 p -43.17 -49.39 6.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -101.52 132.52 47.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.552 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 5.5 t -56.68 -37.91 71.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.6 t -55.96 -36.13 67.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.101 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -60.77 -39.85 90.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.848 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.1 tp -68.86 -32.64 72.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.7 mm -57.25 -46.85 85.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.145 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.1 mm100 -70.52 -41.31 72.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 31.8 t60 -57.85 -44.66 86.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.846 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -45.01 -30.02 0.95 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.9 mmm-85 -52.76 -39.43 62.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.553 HG21 ' CD2' ' A' ' 35' ' ' HIS . 14.4 m -57.45 -14.86 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.164 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.553 ' CD2' HG21 ' A' ' 34' ' ' VAL . 78.6 m-70 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.406 ' CE ' ' HB1' ' A' ' 21' ' ' ALA . 13.7 mtmm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.616 0.722 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 0.17 6.0 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.704 2.27 . . . . 0.0 112.357 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -120.75 120.08 34.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -150.59 135.38 17.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.1 t -69.23 118.46 12.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -87.52 30.49 0.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -123.05 -40.2 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.0 p -127.03 -40.48 1.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.92 71.62 0.52 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.1 ttmt -138.33 124.34 20.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.829 0.347 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.406 ' HB1' ' CE ' ' A' ' 11' ' ' LYS . . . -100.25 143.15 30.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.123 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.442 ' CD2' ' HB3' ' A' ' 27' ' ' HIS . 95.0 m-85 -131.37 135.92 47.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.4 m -57.33 -38.68 74.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -106.51 174.64 5.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.4 p -87.25 -41.49 13.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.183 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.76 -31.05 70.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.442 ' HB3' ' CD2' ' A' ' 22' ' ' PHE . 15.6 m80 -70.86 -26.39 63.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.9 tp -85.88 -47.09 9.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 78.3 mt -59.19 -40.99 82.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.542 ' CG ' ' N ' ' A' ' 31' ' ' HIS . 4.2 pt20 -60.58 -50.65 72.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.542 ' N ' ' CG ' ' A' ' 30' ' ' GLN . 6.1 t60 -60.84 -40.83 94.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -45.53 -25.99 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -52.25 -41.75 63.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.1 m -56.48 -14.8 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 179.949 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.6 mmtt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.618 0.723 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 1.26 4.64 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.716 2.277 . . . . 0.0 112.321 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -120.7 116.38 25.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -144.54 157.16 44.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 19' ' ' GLY . 35.2 t -98.93 106.55 18.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -62.64 -25.83 68.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -56.11 -58.79 6.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.4 p -110.31 -40.18 4.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 109.39 63.8 0.54 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.479 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.2 tttm -131.06 128.66 40.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.789 0.328 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.18 139.84 34.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -124.05 137.15 54.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.844 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.5 m -58.04 -42.71 85.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.849 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -97.66 167.38 10.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 39.7 p -86.63 -47.8 8.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.156 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.7 t -57.12 -24.63 55.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -68.58 -41.49 79.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.7 tp -67.01 -50.95 60.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 59.9 mt -52.93 -44.68 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -67.62 -38.71 84.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.423 ' O ' ' N ' ' A' ' 33' ' ' ARG . 10.4 t60 -60.68 -51.33 69.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.823 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -39.4 -29.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 31' ' ' HIS . 10.4 mmm180 -49.89 -46.61 51.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.9 m -47.91 -25.87 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 179.927 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.56 0.695 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -2.98 11.1 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.645 2.23 . . . . 0.0 112.355 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -126.84 112.42 15.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.945 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -136.17 159.29 42.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.0 t -97.51 119.67 36.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.3 mmtt -85.64 29.79 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -122.91 -33.31 3.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.6 p -129.86 -44.24 1.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.53 58.81 0.37 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -129.88 133.34 46.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.88 137.65 39.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.123 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -123.17 129.16 51.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 91.6 p -51.33 -40.35 58.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -104.27 146.33 28.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.4 t -66.2 -43.54 86.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.8 t -60.14 -27.46 67.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.136 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -67.26 -41.65 85.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.843 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.8 tp -66.39 -52.06 50.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.1 mt -56.37 -45.5 81.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.478 ' HA ' ' CD ' ' A' ' 33' ' ' ARG . 45.0 mm-40 -62.54 -26.09 68.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -81.07 -36.89 29.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -52.25 -20.92 2.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.478 ' CD ' ' HA ' ' A' ' 30' ' ' GLN . 1.4 mpt_? -59.1 -35.29 73.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.3 m -59.95 -23.35 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.131 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.944 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.436 ' HE3' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.599 0.714 . . . . 0.0 110.921 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 0.86 5.0 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.703 2.268 . . . . 0.0 112.376 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.542 ' CE1' ' HB ' ' A' ' 25' ' ' THR . 45.9 m-85 -135.92 127.81 29.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -157.13 131.84 8.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.5 t -62.45 118.34 7.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.87 40.2 0.89 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -133.31 -43.65 0.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.6 p -120.05 -40.15 2.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.51 65.71 0.46 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.482 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt -131.48 119.59 21.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.801 0.334 . . . . 0.0 110.918 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.85 134.74 42.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -120.33 153.63 36.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.6 t -60.49 -46.54 89.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -111.62 168.78 9.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.542 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 10.2 t -77.18 -41.74 40.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.171 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.432 ' N ' HG23 ' A' ' 25' ' ' THR . 5.9 t -54.87 -32.76 61.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 46.7 m170 -62.95 -44.98 94.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.6 tp -63.37 -43.42 97.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.3 mt -52.0 -49.96 36.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -63.24 -40.72 98.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 33' ' ' ARG . 21.0 t60 -57.95 -45.81 86.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -42.57 -23.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 31' ' ' HIS . 82.6 mtt180 -52.05 -40.96 61.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.498 HG23 ' CE1' ' A' ' 35' ' ' HIS . 14.0 m -57.2 -16.82 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.498 ' CE1' HG23 ' A' ' 34' ' ' VAL . 48.5 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.3 mmtp . . . . . 0 C--O 1.232 0.137 0 CA-C-O 121.591 0.71 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -4.81 14.8 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.72 2.28 . . . . 0.0 112.317 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.403 ' CE1' ' HB ' ' A' ' 25' ' ' THR . 26.6 m-85 -115.22 113.66 24.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -141.66 151.03 42.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 19' ' ' GLY . 5.2 t -87.93 89.73 8.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.867 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -55.21 -16.35 3.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -72.38 -52.6 15.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.3 p -111.85 -44.19 3.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 115.93 61.37 0.35 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.482 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.3 tttp -130.49 124.74 32.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.804 0.335 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.66 137.8 33.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -126.8 142.86 51.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.8 t -52.04 -46.57 65.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -113.11 160.44 18.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.403 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 9.8 t -69.4 -38.19 77.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.3 p -58.8 -33.89 70.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.408 ' HA ' ' CD ' ' A' ' 30' ' ' GLN . 18.0 m-70 -70.22 -21.87 62.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.4 tp -87.95 -44.21 11.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.952 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.6 mt -62.14 -38.27 80.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.456 ' HG3' ' N ' ' A' ' 31' ' ' HIS . 14.3 pt20 -59.85 -52.2 66.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.456 ' N ' ' HG3' ' A' ' 30' ' ' GLN . 12.8 t60 -60.35 -39.54 87.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -47.97 -20.55 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -57.66 -37.82 74.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.4 m -66.01 -13.05 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.945 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.7 mptt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.587 0.708 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.541 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.72 -3.02 11.14 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.694 2.263 . . . . 0.0 112.342 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.541 ' CE2' ' HG2' ' A' ' 12' ' ' PRO . 9.5 m-85 -131.47 126.01 33.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.917 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -151.24 145.17 25.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.2 t -79.12 113.3 17.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.5 tttt -83.26 36.88 0.53 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -126.69 -40.09 1.94 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.6 p -130.21 -39.23 1.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.86 73.44 0.53 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.443 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.4 tttt -141.91 130.32 22.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.822 0.344 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.45 144.34 27.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -132.59 128.8 37.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.3 t -56.42 -38.23 71.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -111.27 148.69 32.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.3 m -60.97 -50.95 71.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.9 t -52.76 -43.53 65.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.105 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.43 ' HA ' ' NE2' ' A' ' 30' ' ' GLN . 9.8 m80 -58.05 -28.16 64.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.5 tp -79.04 -36.99 40.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 51.8 mt -68.17 -41.63 84.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.144 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.43 ' NE2' ' HA ' ' A' ' 27' ' ' HIS . 12.4 pt20 -57.12 -46.98 82.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -58.86 -38.69 79.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -50.43 -23.7 2.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.1 mmp_? -56.43 -29.42 61.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.2 m -71.95 -8.76 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.919 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.411 ' NZ ' ' HB3' ' A' ' 23' ' ' SER . 7.9 mmmm . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.569 0.699 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 0.37 5.77 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.656 2.237 . . . . 0.0 112.318 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -141.44 112.58 7.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.48 ' CG ' ' O ' ' A' ' 20' ' ' LYS . 18.5 tt0 -140.44 132.59 28.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.6 t -63.07 118.96 8.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -84.3 27.09 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -115.53 -34.96 4.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.9 p -130.54 -46.84 1.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.48 26.38 0.88 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.429 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.48 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 5.4 tptp -86.57 159.85 19.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.769 0.318 . . . . 0.0 110.934 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.44 141.75 50.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.118 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.475 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 18.9 m-85 -139.29 126.1 20.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.411 ' HB3' ' NZ ' ' A' ' 11' ' ' LYS . 53.6 p -58.68 -34.65 71.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.413 ' HB2' ' ND1' ' A' ' 27' ' ' HIS . 14.2 mm100 -104.74 150.41 24.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.8 p -65.93 -54.49 25.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.0 t -50.46 -32.79 18.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.47 ' HA ' ' NE2' ' A' ' 30' ' ' GLN . 31.7 m170 -68.42 -27.67 66.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.475 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 13.1 tp -81.73 -28.96 33.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.9 mt -75.76 -41.5 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.475 ' HG3' ' N ' ' A' ' 31' ' ' HIS . 24.6 pt20 -58.9 -47.87 83.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.475 ' N ' ' HG3' ' A' ' 30' ' ' GLN . 8.1 t60 -65.4 -38.47 90.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.821 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -50.76 -25.45 4.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 50.2 mtp85 -55.47 -27.79 50.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.543 HG21 ' CD2' ' A' ' 35' ' ' HIS . 18.1 m -68.35 -17.46 22.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.171 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.543 ' CD2' HG21 ' A' ' 34' ' ' VAL . 47.0 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.584 0.707 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 2.68 3.31 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.726 2.284 . . . . 0.0 112.325 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.445 ' CE1' ' HB ' ' A' ' 25' ' ' THR . 36.0 m-85 -123.94 121.92 36.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -151.01 140.31 21.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.1 t -78.64 80.72 5.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.6 mtpt -46.71 -20.69 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -60.51 -59.24 5.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.4 p -112.74 -39.07 4.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.03 72.98 0.44 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.507 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.55 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 0.7 OUTLIER -138.47 116.79 11.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.761 0.315 . . . . 0.0 110.895 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.13 133.22 37.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.089 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.559 ' CD1' ' HB3' ' A' ' 27' ' ' HIS . 97.7 m-85 -124.25 149.78 46.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.8 t -63.16 -40.78 98.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -113.95 142.25 46.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.445 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 9.9 t -52.18 -41.38 62.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.148 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.5 t -56.59 -41.64 77.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.559 ' HB3' ' CD1' ' A' ' 22' ' ' PHE . 6.6 m-70 -59.57 -21.8 60.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.878 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.4 tp -87.56 -46.64 9.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 73.3 mt -62.32 -36.55 75.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.493 ' CD ' ' N ' ' A' ' 31' ' ' HIS . 1.6 pp0? -61.99 -51.32 68.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.493 ' N ' ' CD ' ' A' ' 30' ' ' GLN . 7.1 t60 -58.62 -41.34 85.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -42.89 -25.33 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -56.29 -42.96 78.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 26.2 m -52.29 -21.82 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 179.962 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.535 0.683 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 2.52 3.46 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.657 2.238 . . . . 0.0 112.347 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.536 ' CE1' HG23 ' A' ' 25' ' ' THR . 22.9 m-85 -113.41 112.33 23.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -138.88 156.54 47.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.9 t -83.81 122.67 28.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.1 mttt -87.85 34.59 0.72 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -127.42 -38.02 1.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.2 p -126.75 -41.83 1.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.75 67.25 0.47 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.9 tttt -132.86 122.62 24.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.772 0.32 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.91 139.35 31.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -128.82 146.19 50.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.7 p -86.06 -2.39 58.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -127.76 116.41 20.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.94 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.536 HG23 ' CE1' ' A' ' 13' ' ' TYR . 27.6 p -45.36 -49.97 12.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.175 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.7 t -56.33 -34.32 66.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.148 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -60.62 -46.08 91.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.826 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.1 tp -61.79 -48.92 78.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.4 mt -59.83 -41.77 86.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -72.37 -32.11 66.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 25.2 t60 -62.24 -46.26 89.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -47.23 -23.77 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -56.56 -42.66 78.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.2 m -54.96 -24.7 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.917 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 t 67.44 41.56 2.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.372 . . . . 0.0 110.857 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.4 t -84.08 -46.64 11.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.864 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 66.66 -136.58 33.78 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 4' ' ' GLY . 77.6 p 38.08 43.23 0.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.865 0.364 . . . . 0.0 110.847 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.0 m -124.45 110.79 14.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.31 42.79 3.18 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.2 p -39.59 -45.4 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.848 0.356 . . . . 0.0 111.188 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -143.25 -67.55 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.473 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -38.85 142.49 0.21 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.888 0.375 . . . . 0.0 110.923 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? -64.23 149.51 94.21 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.56 0.695 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 0.91 4.94 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.678 2.252 . . . . 0.0 112.327 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.501 ' CZ ' HG22 ' A' ' 25' ' ' THR . 10.6 m-85 -113.74 109.11 18.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.946 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -141.14 133.23 27.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.9 t -64.41 126.24 27.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.2 mtpt -93.64 24.15 4.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -117.19 -37.37 3.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -127.04 -42.24 1.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.35 70.51 0.51 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.6 ttmm -137.04 124.3 21.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.798 0.332 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.94 132.69 44.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -120.93 155.7 33.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.1 t -97.36 22.12 9.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -155.57 119.57 4.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.501 HG22 ' CZ ' ' A' ' 13' ' ' TYR . 41.0 p -49.99 -41.28 46.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.167 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.95 -31.62 72.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -66.73 -44.47 81.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.5 tp -61.09 -45.72 93.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.4 mt -62.11 -36.43 74.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -69.29 -47.2 65.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.943 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 61.1 t60 -51.49 -44.53 62.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 43.8 mm-40 -44.72 -31.83 1.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 43.4 mtt-85 -48.04 -44.32 30.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.838 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 20.7 m -61.09 -27.74 42.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -84.2 -27.45 28.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.2 t -111.85 53.38 0.73 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.161 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -177.25 52.45 0.1 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -127.21 167.63 15.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.904 0.383 . . . . 0.0 110.903 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -107.31 81.05 0.95 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.605 0.717 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 41' ' ' SER . 53.7 Cg_endo -69.74 117.95 5.39 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.688 2.259 . . . . 0.0 112.362 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 40' ' ' PRO . 1.8 t -36.49 125.78 0.83 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.23 64.77 2.54 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.473 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 102.37 1.03 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.722 2.281 . . . . 0.0 112.316 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.9 p -90.35 -52.36 4.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.809 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.6 p -154.5 175.1 14.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.83 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 119.059 -0.856 . . . . 0.0 112.444 179.998 . . . . . . . . 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 -0.357 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.1 m -160.5 147.84 15.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.892 0.377 . . . . 0.0 110.842 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -148.88 136.58 20.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.852 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.78 167.01 32.05 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.52 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m -127.23 81.94 2.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.908 0.385 . . . . 0.0 110.861 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 t -118.62 42.46 2.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.838 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.68 134.73 3.87 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 70.0 p -56.4 155.14 7.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.866 0.365 . . . . 0.0 111.169 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -161.26 -49.57 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.498 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.8 mp0 -49.91 151.28 1.91 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.929 0.395 . . . . 0.0 110.899 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.406 ' CD ' ' HA ' ' A' ' 23' ' ' SER . 18.7 mtmt -127.84 143.93 49.49 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.631 0.729 . . . . 0.0 110.844 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 1.31 4.59 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.627 2.218 . . . . 0.0 112.347 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -117.47 113.59 22.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.933 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -139.89 143.26 36.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.4 t -76.37 123.01 25.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -87.98 21.24 2.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.501 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 2.2 mm-40 -113.94 -33.39 5.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.8 p -131.7 -43.17 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.851 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.23 54.46 0.38 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -123.94 128.57 49.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.795 0.331 . . . . 0.0 110.86 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.14 138.99 34.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.062 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -124.84 129.98 51.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.406 ' HA ' ' CD ' ' A' ' 11' ' ' LYS . 96.6 p -51.23 -43.14 61.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -107.47 148.13 29.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.946 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.9 p -62.89 -52.64 62.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.469 HG21 ' N ' ' A' ' 27' ' ' HIS . 9.0 t -44.09 -34.65 1.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.18 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.469 ' N ' HG21 ' A' ' 26' ' ' THR . 10.9 m170 -65.23 -42.32 93.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.4 tp -72.96 -53.84 10.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.6 mt -46.68 -44.36 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.127 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -71.1 -42.97 68.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 57.2 t60 -57.52 -37.08 72.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -58.52 -13.63 6.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.9 mmt85 -68.6 -29.13 67.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.2 m -70.55 -18.94 21.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.151 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.501 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 97.3 m-70 -97.76 -19.87 17.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.4 t -96.65 -18.42 19.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -53.91 -32.97 49.42 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.466 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -100.49 111.51 23.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.922 0.392 . . . . 0.0 110.871 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.5 mttm -77.38 144.03 69.82 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.589 0.709 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -16.48 37.8 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.715 2.277 . . . . 0.0 112.35 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 p -130.54 174.97 9.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -112.57 74.88 0.22 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.471 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 -49.18 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.674 2.25 . . . . 0.0 112.348 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 82.1 p -154.16 -177.86 6.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.865 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.8 t -39.72 123.55 1.57 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.445 -179.961 . . . . . . . . 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 -0.313 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 p -99.67 110.13 22.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 0.0 110.894 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.9 p -83.31 126.11 32.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.85 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.85 -83.1 0.22 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.466 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.3 p -116.44 112.53 21.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.867 0.365 . . . . 0.0 110.846 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.0 m -117.76 42.08 2.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.827 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.75 109.1 0.77 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.46 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 99.7 m -151.36 147.38 26.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.841 0.353 . . . . 0.0 111.158 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.11 122.5 21.11 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.517 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -82.64 7.63 14.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.928 0.394 . . . . 0.0 110.901 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.79 144.05 75.87 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.563 0.696 . . . . 0.0 110.865 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 2.63 3.36 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.318 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.421 ' CZ ' ' OG1' ' A' ' 25' ' ' THR . 60.0 m-85 -139.4 131.99 28.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.859 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -157.96 147.54 19.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.0 t -80.33 120.4 24.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.68 32.56 0.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -125.28 -33.06 2.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.3 p -132.48 -41.66 0.96 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.93 65.93 0.45 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.514 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.35 119.02 20.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.819 0.342 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.84 138.7 33.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.531 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 55.9 m-85 -126.74 129.95 49.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 81.6 p -49.84 -41.14 44.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -110.77 153.61 25.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.421 ' OG1' ' CZ ' ' A' ' 13' ' ' TYR . 18.7 m -65.01 -52.63 54.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.5 t -47.21 -41.46 18.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -55.89 -43.65 77.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.79 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.518 HD13 ' CE1' ' A' ' 22' ' ' PHE . 36.2 tp -66.85 -54.44 22.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.5 mt -46.63 -39.58 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -71.71 -41.21 68.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.531 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 8.2 t60 -51.13 -35.1 33.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -51.25 -18.14 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 69.9 mtt180 -60.23 -42.11 94.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 18.0 m -58.12 -19.32 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -94.28 -14.76 25.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.8 t -114.48 35.92 4.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.65 29.11 3.31 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.512 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 39' ' ' LYS . 4.2 tp10 -147.21 148.04 31.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.921 0.391 . . . . 0.0 110.881 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.455 ' N ' ' HG3' ' A' ' 38' ' ' GLU . 37.6 mtmt -35.67 144.16 0.24 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.665 0.745 . . . . 0.0 110.834 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -43.61 2.59 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.678 2.252 . . . . 0.0 112.349 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.7 p 42.2 39.17 1.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -160.96 151.72 22.19 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.466 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -46.09 1.37 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.671 2.248 . . . . 0.0 112.363 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.5 p -137.71 164.43 28.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.3 m -154.64 164.37 38.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.458 -179.963 . . . . . . . . 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 1.451 -0.308 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.9 m 42.35 42.27 2.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.874 0.368 . . . . 0.0 110.849 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.1 m -90.33 131.78 35.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.65 121.91 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.492 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.8 p -39.99 125.11 1.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.841 0.353 . . . . 0.0 110.856 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.2 t -125.17 -57.15 1.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.21 177.55 26.86 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.462 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.2 m -117.99 136.99 53.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.822 0.344 . . . . 0.0 111.123 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 79.3 92.27 0.37 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.52 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -111.6 -179.43 3.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.934 0.397 . . . . 0.0 110.889 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.457 ' HD3' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -85.63 143.89 39.12 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.577 0.703 . . . . 0.0 110.919 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -8.02 22.53 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.691 2.261 . . . . 0.0 112.366 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.52 ' CE1' ' HB ' ' A' ' 25' ' ' THR . 36.9 m-85 -128.13 124.24 36.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -144.46 147.71 33.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.7 t -80.93 126.69 31.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.6 mmmt -94.29 26.36 3.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.513 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 4.1 mm-40 -121.27 -34.91 3.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.5 p -129.59 -41.09 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.1 61.02 0.45 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.443 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.5 tttm -131.37 128.55 39.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.796 0.331 . . . . 0.0 110.928 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.7 138.77 35.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.094 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.451 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 3.1 m-85 -120.94 146.67 46.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.6 t -62.48 -40.68 97.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -108.36 151.62 25.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.945 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.52 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 5.5 t -71.0 -39.76 72.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.168 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.3 t -61.08 -31.49 71.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.153 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -65.49 -41.72 92.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.827 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 55.2 tp -68.85 -28.73 66.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.939 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 8.1 mt -70.27 -41.65 78.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -71.51 -34.73 70.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.439 ' O ' ' CG2' ' A' ' 34' ' ' VAL . 21.5 t60 -68.33 -24.84 64.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -62.19 -17.32 57.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -60.72 -27.93 68.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.439 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 35.7 m -73.44 -9.84 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.513 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 86.8 m-70 -115.75 23.96 11.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.7 p -128.68 45.48 2.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.98 -146.1 4.54 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.483 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -122.8 95.57 4.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.954 0.407 . . . . 0.0 110.891 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -109.74 154.57 42.43 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.575 0.702 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -5.19 15.63 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.634 2.223 . . . . 0.0 112.358 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.2 t -105.61 148.85 26.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.71 -170.23 34.15 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -174.1 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.667 2.245 . . . . 0.0 112.393 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.9 m -153.5 171.69 18.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.4 t -57.67 163.03 2.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 CA-C-O 119.073 -0.849 . . . . 0.0 112.493 -179.96 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.9 m -144.73 153.98 42.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.876 0.369 . . . . 0.0 110.862 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.7 p -128.38 -46.36 1.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.57 131.92 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.472 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.8 t -122.01 119.14 30.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.861 0.362 . . . . 0.0 110.862 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -164.85 127.42 2.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.2 39.49 3.11 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.512 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.6 p -155.29 156.37 35.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.806 0.336 . . . . 0.0 111.106 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.94 40.83 0.62 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -130.1 27.69 5.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.922 0.391 . . . . 0.0 110.869 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -123.55 145.99 48.66 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.572 0.701 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.521 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.8 Cg_endo -69.79 -11.59 31.12 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.686 2.257 . . . . 0.0 112.366 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.521 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 26.4 m-85 -134.71 128.87 33.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -148.28 136.75 21.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 50.7 t -69.06 117.81 11.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -88.0 39.39 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -134.35 -39.13 0.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.3 p -124.56 -41.23 2.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.7 60.33 0.4 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.539 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.4 tttp -131.62 123.14 27.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.838 0.352 . . . . 0.0 110.866 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.22 137.41 37.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.446 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 93.0 m-85 -119.63 128.97 54.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.4 p -52.42 -19.25 2.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -128.12 144.91 51.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.482 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 9.4 t -65.09 -43.31 92.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.178 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.2 t -59.06 -35.51 73.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.148 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.418 ' HB3' ' CD2' ' A' ' 22' ' ' PHE . 10.3 m170 -59.17 -38.69 80.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.2 tp -69.7 -38.33 76.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.5 mm -53.69 -47.03 62.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -72.51 -35.08 68.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.446 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 34.8 t60 -60.41 -42.37 95.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -57.8 -24.1 55.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.2 mmt85 -56.87 -33.24 66.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.8 m -64.27 -27.46 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -80.71 -20.67 42.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.464 ' O ' ' CG2' ' A' ' 36' ' ' THR . 4.3 t -118.17 40.5 3.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -131.88 -39.64 0.23 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.462 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -102.79 132.63 48.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.91 0.386 . . . . 0.0 110.91 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -148.0 153.25 41.69 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.544 0.687 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -4.73 14.64 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.705 2.27 . . . . 0.0 112.337 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.4 m -120.02 -175.2 2.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.18 77.03 0.74 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -32.4 18.77 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.697 2.265 . . . . 0.0 112.348 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.2 p -159.12 177.12 11.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.0 m -72.25 154.91 40.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.846 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.478 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m 61.5 54.36 3.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.862 0.363 . . . . 0.0 110.878 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.2 m 55.69 45.51 24.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.13 135.33 7.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.473 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.5 t -131.45 110.48 11.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.87 0.367 . . . . 0.0 110.827 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.2 p -114.16 175.82 5.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.825 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.7 106.16 1.95 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.488 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.3 m -63.17 -48.52 78.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.792 0.329 . . . . 0.0 111.148 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 141.18 170.61 12.28 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.44 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -126.49 123.34 37.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.912 0.387 . . . . 0.0 110.865 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.51 159.78 83.88 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.586 0.708 . . . . 0.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.566 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.7 0.48 5.53 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.675 2.25 . . . . 0.0 112.375 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.572 ' CE1' ' CG2' ' A' ' 25' ' ' THR . 24.1 m-85 -137.23 131.01 31.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.953 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -153.7 150.71 28.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.9 t -91.98 102.03 14.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.2 mttm -63.92 -14.67 55.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -67.62 -59.06 3.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.6 p -112.05 -44.23 3.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.65 67.28 0.29 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.547 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 16.8 tttp -135.01 123.02 22.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.779 0.324 . . . . 0.0 110.894 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.27 144.15 28.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.083 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.547 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 46.0 m-85 -133.71 137.58 45.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.0 m -51.33 -47.53 62.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -107.92 155.78 19.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.572 ' CG2' ' CE1' ' A' ' 13' ' ' TYR . 36.7 p -62.63 -51.7 66.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.6 p -45.41 -48.19 13.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -52.45 -30.27 28.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.6 tp -82.58 -26.07 32.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.963 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.1 mm -72.93 -45.09 56.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.1 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.543 ' CG ' ' N ' ' A' ' 31' ' ' HIS . 9.6 pt20 -58.18 -50.71 72.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.543 ' N ' ' CG ' ' A' ' 30' ' ' GLN . 18.3 t60 -49.58 -48.34 48.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 31' ' ' HIS . 63.5 mm-40 -37.28 -28.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 31' ' ' HIS . 59.0 mtp180 -50.72 -47.83 59.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.819 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.2 m -54.03 -24.59 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 55.2 m-70 -86.11 -33.09 21.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.453 ' CG2' ' HA ' ' A' ' 33' ' ' ARG . 2.6 t -99.22 69.12 1.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 146.27 60.96 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -96.33 129.56 43.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.911 0.386 . . . . 0.0 110.926 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -113.73 80.86 5.29 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.557 0.694 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -49.33 0.57 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.641 2.228 . . . . 0.0 112.355 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.9 m 48.75 41.95 18.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 44.83 -158.19 0.19 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.462 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 109.12 2.24 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.668 2.246 . . . . 0.0 112.337 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.0 t -111.37 -45.78 3.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.819 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 46' ' ' GLY . 57.9 m -131.25 41.88 3.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 45' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 119.198 -0.779 . . . . 0.0 112.543 -179.976 . . . . . . . . 1 1 . 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 -0.326 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.1 m -103.1 171.32 7.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.89 0.376 . . . . 0.0 110.836 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -159.68 124.78 4.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.2 160.41 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.507 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.5 p -62.12 127.07 29.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.81 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 t -134.49 40.78 2.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 40.43 45.12 3.29 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.527 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 92.9 m -92.75 140.7 29.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.804 0.335 . . . . 0.0 111.156 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 129.9 -159.2 22.55 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.56 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -108.99 6.84 25.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.92 0.391 . . . . 0.0 110.891 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.421 ' HD3' ' C ' ' A' ' 22' ' ' PHE . 38.2 mttt -143.95 143.68 23.8 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.557 0.694 . . . . 0.0 110.922 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -3.78 12.69 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.706 2.271 . . . . 0.0 112.315 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.535 ' CE1' HG21 ' A' ' 25' ' ' THR . 4.3 m-85 -119.11 115.5 24.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.894 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -138.97 146.25 40.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.6 t -79.24 115.02 18.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.01 0.08 37.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -91.47 -41.64 10.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.459 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 20.1 p -127.11 -37.17 2.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.2 69.45 0.64 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.477 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.09 124.52 26.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.818 0.342 . . . . 0.0 110.934 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.99 135.71 35.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.421 ' C ' ' HD3' ' A' ' 11' ' ' LYS . 72.2 m-85 -126.69 142.27 51.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.0 p -61.04 -38.62 86.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -113.09 138.76 49.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.535 HG21 ' CE1' ' A' ' 13' ' ' TYR . 69.1 p -56.09 -44.38 78.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.3 p -48.88 -58.37 4.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -44.14 -46.7 8.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.9 tp -58.23 -50.01 75.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.8 mt -59.09 -45.42 92.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -63.31 -24.94 68.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 37.2 t60 -78.25 -30.12 48.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.797 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -62.2 -10.91 12.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -67.58 -27.58 67.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.3 m -78.14 -19.19 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.459 ' CE1' ' HB3' ' A' ' 18' ' ' CYS . 44.0 m-70 -90.21 -18.63 25.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.3 t -105.24 -26.88 11.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -105.19 52.85 0.69 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -119.02 145.49 45.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.899 0.381 . . . . 0.0 110.929 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.61 152.48 72.04 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.576 0.703 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 82.8 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.697 2.265 . . . . 0.0 112.351 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.9 m -113.27 -73.64 0.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.62 -159.38 25.34 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.499 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -20.74 34.43 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.67 2.247 . . . . 0.0 112.328 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.4 t -52.95 127.43 23.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.7 t -82.14 171.0 14.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.833 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 CA-C-O 119.171 -0.794 . . . . 0.0 112.501 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -116.12 154.73 29.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.825 0.345 . . . . 0.0 110.851 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.5 p -42.28 151.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.851 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.19 -136.36 8.12 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.448 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 m -62.39 153.52 30.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.823 0.344 . . . . 0.0 110.882 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 m -83.65 90.11 7.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.32 -42.17 63.56 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.522 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.3 p -102.17 134.07 46.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.803 0.335 . . . . 0.0 111.145 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.7 91.11 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.482 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -46.65 162.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.903 0.383 . . . . 0.0 110.85 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -116.61 156.1 48.05 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.567 0.698 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -0.38 6.88 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.676 2.251 . . . . 0.0 112.348 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -115.08 113.38 23.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -148.56 133.93 18.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.2 t -64.29 125.25 23.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -93.91 28.97 2.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -121.61 -38.17 2.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.2 p -128.53 -40.93 1.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.9 84.97 1.4 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.493 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.4 tttt -154.82 125.75 7.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.804 0.335 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.81 148.98 21.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -134.85 130.77 36.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.1 t -48.39 -46.17 36.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -107.5 158.39 17.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 85.6 m -72.71 -44.01 62.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 t -55.67 -28.29 54.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.156 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -71.26 -39.52 71.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.9 tp -68.02 -44.1 77.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 69.9 mt -58.9 -47.24 90.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.16 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.486 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 70.9 mm-40 -58.43 -41.34 84.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -61.58 -47.23 86.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -41.57 -27.72 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.486 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 32.1 mmt180 -42.37 -45.96 4.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.2 m -49.73 -39.31 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -86.54 -33.68 20.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.48 76.31 1.7 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.42 -130.79 2.42 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.475 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -81.72 47.51 1.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.952 0.406 . . . . 0.0 110.859 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.93 144.85 44.05 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.611 0.72 . . . . 0.0 110.894 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 140.22 42.04 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.698 2.265 . . . . 0.0 112.316 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.4 m -112.87 79.5 1.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.84 146.08 17.15 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -50.51 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.702 2.268 . . . . 0.0 112.317 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.0 p -167.62 158.49 11.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.805 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.5 m -103.99 105.04 15.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.818 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.112 -0.826 . . . . 0.0 112.5 179.992 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -154.14 141.58 19.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 110.838 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.6 p -124.12 -6.98 7.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.864 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.96 120.98 4.27 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.521 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.0 t -77.99 104.82 8.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.84 0.352 . . . . 0.0 110.904 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.1 m -69.81 -48.96 57.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.855 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.32 59.65 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.492 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.8 m -106.41 43.25 1.16 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.834 0.35 . . . . 0.0 111.111 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.43 102.93 2.08 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.497 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -103.89 151.44 23.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.96 0.409 . . . . 0.0 110.863 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.35 144.2 53.25 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.587 0.708 . . . . 0.0 110.904 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -3.22 11.57 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 2.242 . . . . 0.0 112.375 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -123.19 116.39 23.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.953 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -149.31 158.41 44.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 39.0 t -94.67 111.41 23.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.834 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.1 mtpt -71.23 -19.02 62.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -65.65 -53.07 46.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.4 p -112.18 -45.12 3.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.66 69.79 0.52 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.527 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.3 tttp -138.77 124.13 19.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.834 0.349 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.34 141.12 30.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -124.59 145.95 49.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.8 t -58.61 -45.37 89.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -113.37 141.25 47.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.94 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.1 m -53.39 -46.51 69.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.9 p -45.58 -40.2 8.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.177 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 43.4 m170 -61.79 -40.68 96.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.1 tp -71.07 -55.82 7.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 94.6 mt -42.93 -49.37 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.102 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -64.07 -43.01 96.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.44 ' O ' ' CG2' ' A' ' 34' ' ' VAL . 22.3 t60 -60.47 -41.28 93.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -48.36 -27.71 2.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -53.7 -38.29 64.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.44 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 32.8 m -61.27 -11.2 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -116.12 21.13 13.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 39.3 p -108.54 -44.55 4.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.133 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.38 148.48 3.24 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -82.55 139.32 33.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.874 0.369 . . . . 0.0 110.892 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.9 mtpt -164.43 159.72 15.89 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.582 0.706 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -3.29 11.71 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.644 2.229 . . . . 0.0 112.384 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t -63.66 118.71 8.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.21 73.28 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.465 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -49.54 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.677 2.252 . . . . 0.0 112.331 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 t -165.34 162.22 19.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.836 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 80.9 p -122.28 -11.52 8.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.508 -179.992 . . . . . . . . 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 -0.311 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.1 p -92.5 100.8 13.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.922 0.391 . . . . 0.0 110.861 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -54.32 134.86 45.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.86 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.02 103.6 0.56 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.443 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.7 t -149.3 150.35 32.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 0.0 110.848 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.4 m -85.34 106.38 16.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.36 -52.59 3.93 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.544 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.7 t -38.8 129.15 1.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.849 0.357 . . . . 0.0 111.157 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 137.51 -68.11 0.52 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.475 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -106.4 112.86 26.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.931 0.396 . . . . 0.0 110.904 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.467 ' HE3' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -46.03 159.7 0.32 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.622 0.725 . . . . 0.0 110.883 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -0.04 6.32 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.692 2.261 . . . . 0.0 112.348 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.542 ' CE1' HG22 ' A' ' 25' ' ' THR . 5.6 m-85 -109.86 111.53 23.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -138.83 156.82 47.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 19' ' ' GLY . 8.5 t -93.15 78.67 4.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.411 ' C ' ' HD2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -43.23 -24.11 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' ' 15' ' ' CYS . 44.1 mm-40 -62.33 -52.54 63.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.828 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.3 p -112.05 -43.69 3.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 114.71 64.24 0.41 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.9 tttp -137.83 128.39 26.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.763 0.316 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.19 142.24 30.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.048 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -122.39 154.18 38.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 87.9 p -73.95 -20.27 60.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.859 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -134.65 138.06 44.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.542 HG22 ' CE1' ' A' ' 13' ' ' TYR . 59.4 p -52.54 -51.48 59.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.147 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.5 p -50.0 -44.75 51.26 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.599 ' CD2' ' NE2' ' A' ' 30' ' ' GLN . 3.7 t-160 -60.39 -30.95 69.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.864 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.4 tp -76.76 -30.17 56.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.936 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.3 mt -74.9 -42.59 46.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.088 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.599 ' NE2' ' CD2' ' A' ' 27' ' ' HIS . 12.6 pt20 -54.77 -46.58 74.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.471 ' O ' ' N ' ' A' ' 33' ' ' ARG . 24.3 t60 -58.6 -48.74 79.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.814 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 -40.22 -25.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 31' ' ' HIS . 12.4 mmm180 -52.6 -46.34 66.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 22.5 m -57.41 -28.6 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 56.9 m-70 -78.5 -27.14 46.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.3 t -118.71 80.36 1.53 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.08 -33.63 1.23 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.476 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -123.06 15.45 9.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.92 0.391 . . . . 0.0 110.904 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.6 mmtm -67.76 155.33 91.75 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.569 0.7 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 41' ' ' SER . 53.8 Cg_endo -69.79 2.75 3.26 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.685 2.257 . . . . 0.0 112.339 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 40' ' ' PRO . 1.4 t -34.55 127.35 0.47 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -73.75 171.88 51.54 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.515 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.5 Cg_endo -69.8 2.21 3.76 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.686 2.258 . . . . 0.0 112.341 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 43' ' ' PRO . 23.7 t -34.57 -62.16 0.36 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.84 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.9 t -87.12 -65.76 0.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.84 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.451 179.997 . . . . . . . . 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 -0.33 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.1 p -76.65 167.39 21.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.911 0.386 . . . . 0.0 110.845 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.7 p -142.09 139.9 32.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.41 100.37 0.52 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.476 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.6 m -79.83 92.12 5.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.904 0.383 . . . . 0.0 110.874 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 t -108.61 102.44 11.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.31 124.33 2.85 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.4 m 52.55 44.7 29.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.854 0.359 . . . . 0.0 111.171 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -135.54 -173.99 13.23 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.513 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.1 pm0 -54.7 135.59 46.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.889 0.376 . . . . 0.0 110.926 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -79.77 147.84 67.63 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.588 0.709 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -7.71 21.75 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.681 2.254 . . . . 0.0 112.359 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.552 ' CE1' ' HB ' ' A' ' 25' ' ' THR . 8.6 m-85 -123.95 108.21 12.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -137.33 139.49 40.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.5 t -67.15 123.12 19.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -91.19 31.87 1.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -126.55 -38.2 2.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.1 p -124.55 -42.45 2.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.51 65.76 0.46 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.499 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.1 tttp -135.75 122.71 21.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.826 0.346 . . . . 0.0 110.849 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.67 137.65 37.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.104 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -124.54 132.43 53.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.8 p -43.17 -49.39 6.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -101.52 132.52 47.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.552 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 5.5 t -56.68 -37.91 71.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.6 t -55.96 -36.13 67.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.101 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -60.77 -39.85 90.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.848 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.1 tp -68.86 -32.64 72.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.7 mm -57.25 -46.85 85.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.145 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.1 mm100 -70.52 -41.31 72.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 31.8 t60 -57.85 -44.66 86.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.846 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -45.01 -30.02 0.95 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.9 mmm-85 -52.76 -39.43 62.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.553 HG21 ' CD2' ' A' ' 35' ' ' HIS . 14.4 m -57.45 -14.86 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.164 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.553 ' CD2' HG21 ' A' ' 34' ' ' VAL . 78.6 m-70 -118.94 -25.82 6.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 47.2 p -101.37 89.99 3.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.31 -33.91 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.488 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.6 tp10 -43.73 144.29 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.93 0.395 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.437 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 6.1 tttp 68.78 54.79 0.57 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.604 0.716 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.437 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.3 Cg_endo -69.75 96.49 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.667 2.245 . . . . 0.0 112.364 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.1 t -146.19 158.86 43.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 136.27 -165.37 24.96 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.52 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.45 ' O ' ' C ' ' A' ' 44' ' ' SER . 54.1 Cg_endo -69.76 2.57 3.41 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.712 2.275 . . . . 0.0 112.299 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 43' ' ' PRO . 31.0 m -34.54 138.26 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 44' ' ' SER . 48.8 m -36.42 149.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.438 -179.951 . . . . . . . . 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 -0.348 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.9 m 52.03 47.31 25.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.888 0.375 . . . . 0.0 110.838 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.5 m -122.6 172.75 8.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.4 149.77 6.08 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.51 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 t -144.03 154.32 43.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.901 0.381 . . . . 0.0 110.84 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.7 m -150.98 163.89 37.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.843 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.62 -53.85 0.45 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.45 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.6 p -96.26 95.81 8.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.359 . . . . 0.0 111.162 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.35 -175.36 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.516 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -129.39 174.97 9.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.904 0.383 . . . . 0.0 110.908 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.406 ' CE ' ' HB1' ' A' ' 21' ' ' ALA . 13.7 mtmm -66.65 143.92 98.36 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.616 0.722 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 0.17 6.0 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.704 2.27 . . . . 0.0 112.357 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -120.75 120.08 34.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -150.59 135.38 17.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.1 t -69.23 118.46 12.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -87.52 30.49 0.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -123.05 -40.2 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.0 p -127.03 -40.48 1.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.92 71.62 0.52 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.1 ttmt -138.33 124.34 20.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.829 0.347 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.406 ' HB1' ' CE ' ' A' ' 11' ' ' LYS . . . -100.25 143.15 30.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.123 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.442 ' CD2' ' HB3' ' A' ' 27' ' ' HIS . 95.0 m-85 -131.37 135.92 47.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.4 m -57.33 -38.68 74.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -106.51 174.64 5.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.4 p -87.25 -41.49 13.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.183 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.76 -31.05 70.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.442 ' HB3' ' CD2' ' A' ' 22' ' ' PHE . 15.6 m80 -70.86 -26.39 63.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.9 tp -85.88 -47.09 9.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 78.3 mt -59.19 -40.99 82.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.542 ' CG ' ' N ' ' A' ' 31' ' ' HIS . 4.2 pt20 -60.58 -50.65 72.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.542 ' N ' ' CG ' ' A' ' 30' ' ' GLN . 6.1 t60 -60.84 -40.83 94.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -45.53 -25.99 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -52.25 -41.75 63.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.1 m -56.48 -14.8 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -111.31 24.12 13.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.4 p -120.13 -46.15 2.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -80.58 -84.65 0.68 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -63.56 158.24 21.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.907 0.384 . . . . 0.0 110.915 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -111.14 80.65 2.47 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.563 0.697 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 176.32 6.94 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.655 2.236 . . . . 0.0 112.32 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.2 t -130.19 151.26 50.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -179.38 178.39 48.68 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -38.34 7.98 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.698 2.266 . . . . 0.0 112.383 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.1 t -46.64 131.46 11.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 74.8 p -106.15 -43.4 4.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.841 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.485 -179.982 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.5 p -96.42 117.95 31.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.886 0.374 . . . . 0.0 110.84 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.7 m -129.91 82.01 2.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.53 133.99 7.74 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.461 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.9 m -111.26 145.62 38.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 0.0 110.866 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.8 t -120.67 123.37 42.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.828 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.16 108.72 1.88 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.535 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 56.6 m -76.87 -61.39 1.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.874 0.369 . . . . 0.0 111.142 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 56.71 88.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.5 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -89.7 84.56 6.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.897 0.38 . . . . 0.0 110.869 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.6 mmtt -146.73 149.19 35.74 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.618 0.723 . . . . 0.0 110.928 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 1.26 4.64 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.716 2.277 . . . . 0.0 112.321 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -120.7 116.38 25.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -144.54 157.16 44.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 19' ' ' GLY . 35.2 t -98.93 106.55 18.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -62.64 -25.83 68.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -56.11 -58.79 6.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.4 p -110.31 -40.18 4.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 109.39 63.8 0.54 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.479 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.2 tttm -131.06 128.66 40.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.789 0.328 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.18 139.84 34.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -124.05 137.15 54.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.844 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.5 m -58.04 -42.71 85.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.849 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -97.66 167.38 10.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 39.7 p -86.63 -47.8 8.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.156 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.7 t -57.12 -24.63 55.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -68.58 -41.49 79.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.7 tp -67.01 -50.95 60.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 59.9 mt -52.93 -44.68 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -67.62 -38.71 84.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.423 ' O ' ' N ' ' A' ' 33' ' ' ARG . 10.4 t60 -60.68 -51.33 69.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.823 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -39.4 -29.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 31' ' ' HIS . 10.4 mmm180 -49.89 -46.61 51.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.9 m -47.91 -25.87 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -92.56 -30.11 15.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.3 t -114.53 43.91 1.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.15 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 170.92 63.95 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.5 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -78.01 6.43 7.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.968 0.413 . . . . 0.0 110.919 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.475 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 59.0 tttm -115.58 139.4 24.69 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.624 0.726 . . . . 0.0 110.898 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.475 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 54.0 Cg_endo -69.74 177.85 5.15 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.687 2.258 . . . . 0.0 112.383 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.8 m -69.98 170.68 10.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.833 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.2 146.29 34.5 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.6 Cg_endo -69.76 2.21 3.74 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.644 2.229 . . . . 0.0 112.386 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 43' ' ' PRO . 22.5 p -35.48 124.1 0.65 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.3 t -85.3 -45.57 11.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.172 -0.793 . . . . 0.0 112.482 -179.943 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.1 m 62.94 42.38 7.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.887 0.375 . . . . 0.0 110.847 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 m -119.74 176.14 5.54 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.819 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.72 65.2 1.0 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.478 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.1 t -100.56 44.4 1.02 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.904 0.383 . . . . 0.0 110.834 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.9 p -56.86 112.38 1.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.18 113.99 0.64 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.459 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.39 80.02 2.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.879 0.371 . . . . 0.0 111.179 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 172.37 -91.88 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.451 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 66.53 36.46 4.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.913 0.387 . . . . 0.0 110.927 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -95.86 150.18 37.01 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.56 0.695 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -2.98 11.1 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.645 2.23 . . . . 0.0 112.355 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -126.84 112.42 15.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.945 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -136.17 159.29 42.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.0 t -97.51 119.67 36.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.3 mmtt -85.64 29.79 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -122.91 -33.31 3.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.6 p -129.86 -44.24 1.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.53 58.81 0.37 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -129.88 133.34 46.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.88 137.65 39.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.123 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -123.17 129.16 51.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 91.6 p -51.33 -40.35 58.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -104.27 146.33 28.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.4 t -66.2 -43.54 86.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.8 t -60.14 -27.46 67.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.136 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -67.26 -41.65 85.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.843 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.8 tp -66.39 -52.06 50.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.1 mt -56.37 -45.5 81.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.478 ' HA ' ' CD ' ' A' ' 33' ' ' ARG . 45.0 mm-40 -62.54 -26.09 68.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -81.07 -36.89 29.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -52.25 -20.92 2.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.478 ' CD ' ' HA ' ' A' ' 30' ' ' GLN . 1.4 mpt_? -59.1 -35.29 73.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.3 m -59.95 -23.35 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.131 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -90.27 23.48 2.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.403 ' CG2' ' O ' ' A' ' 33' ' ' ARG . 9.0 t -86.58 37.41 0.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.82 -115.18 5.01 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 40.72 38.4 0.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.912 0.387 . . . . 0.0 110.874 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -100.2 153.68 37.63 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.529 0.681 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 112.12 3.0 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.659 2.239 . . . . 0.0 112.348 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.4 p -45.56 126.95 7.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.65 -95.06 0.1 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.514 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -42.18 3.67 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.723 2.282 . . . . 0.0 112.324 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.2 p -105.84 147.43 28.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.9 p -171.63 174.7 4.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 CA-C-O 119.088 -0.84 . . . . 0.0 112.522 -179.959 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 t -71.5 114.86 10.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.866 0.365 . . . . 0.0 110.821 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -142.35 112.67 7.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.01 136.15 4.67 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.456 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -148.0 135.94 21.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.94 0.4 . . . . 0.0 110.855 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.1 p -65.98 120.49 13.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.861 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.67 171.43 20.41 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.521 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.6 t -125.37 139.2 53.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.893 0.377 . . . . 0.0 111.112 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.5 175.88 28.56 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.423 ' C ' ' HE3' ' A' ' 11' ' ' LYS . 13.1 pt-20 -128.78 137.74 51.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.966 0.412 . . . . 0.0 110.859 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.436 ' HE3' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -85.52 154.39 59.23 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.599 0.714 . . . . 0.0 110.921 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 0.86 5.0 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.703 2.268 . . . . 0.0 112.376 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.542 ' CE1' ' HB ' ' A' ' 25' ' ' THR . 45.9 m-85 -135.92 127.81 29.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -157.13 131.84 8.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.5 t -62.45 118.34 7.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.87 40.2 0.89 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -133.31 -43.65 0.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.6 p -120.05 -40.15 2.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.51 65.71 0.46 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.482 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt -131.48 119.59 21.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.801 0.334 . . . . 0.0 110.918 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.85 134.74 42.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -120.33 153.63 36.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.6 t -60.49 -46.54 89.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -111.62 168.78 9.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.542 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 10.2 t -77.18 -41.74 40.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.171 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.432 ' N ' HG23 ' A' ' 25' ' ' THR . 5.9 t -54.87 -32.76 61.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 46.7 m170 -62.95 -44.98 94.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.6 tp -63.37 -43.42 97.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.3 mt -52.0 -49.96 36.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -63.24 -40.72 98.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 33' ' ' ARG . 21.0 t60 -57.95 -45.81 86.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -42.57 -23.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 31' ' ' HIS . 82.6 mtt180 -52.05 -40.96 61.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.498 HG23 ' CE1' ' A' ' 35' ' ' HIS . 14.0 m -57.2 -16.82 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.498 ' CE1' HG23 ' A' ' 34' ' ' VAL . 48.5 m-70 -111.33 -32.76 6.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 38.0 p -40.43 -50.42 2.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.06 101.61 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.459 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 39' ' ' LYS . 26.4 tp10 -73.41 152.88 40.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.913 0.387 . . . . 0.0 110.874 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.438 ' N ' ' HG3' ' A' ' 38' ' ' GLU . 38.7 pttt -142.94 153.2 60.41 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.549 0.69 . . . . 0.0 110.908 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 0.84 5.04 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.652 2.235 . . . . 0.0 112.362 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.9 t -55.62 166.54 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.44 80.4 1.18 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.508 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -22.98 31.43 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.362 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.9 t -132.01 85.06 2.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 44.6 t 43.11 41.56 2.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.817 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 CA-C-O 119.094 -0.837 . . . . 0.0 112.514 -179.986 . . . . . . . . 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 -0.311 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.9 m -87.43 94.4 9.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.842 0.353 . . . . 0.0 110.905 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.0 t -89.05 -60.92 1.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.41 116.36 0.42 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.9 p -117.47 106.36 13.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.945 0.403 . . . . 0.0 110.867 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.3 m -83.9 156.74 22.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.853 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.67 -57.17 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.455 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 59.7 m -44.01 -53.04 6.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.354 . . . . 0.0 111.129 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.19 -131.46 10.66 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -169.1 174.87 6.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.91 0.386 . . . . 0.0 110.884 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.3 mmtp -76.17 151.27 83.65 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.591 0.71 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -4.81 14.8 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.72 2.28 . . . . 0.0 112.317 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.403 ' CE1' ' HB ' ' A' ' 25' ' ' THR . 26.6 m-85 -115.22 113.66 24.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -141.66 151.03 42.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 19' ' ' GLY . 5.2 t -87.93 89.73 8.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.867 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -55.21 -16.35 3.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -72.38 -52.6 15.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.3 p -111.85 -44.19 3.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 115.93 61.37 0.35 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.482 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.3 tttp -130.49 124.74 32.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.804 0.335 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.66 137.8 33.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -126.8 142.86 51.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.8 t -52.04 -46.57 65.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -113.11 160.44 18.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.403 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 9.8 t -69.4 -38.19 77.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.3 p -58.8 -33.89 70.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.408 ' HA ' ' CD ' ' A' ' 30' ' ' GLN . 18.0 m-70 -70.22 -21.87 62.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.4 tp -87.95 -44.21 11.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.952 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.6 mt -62.14 -38.27 80.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.456 ' HG3' ' N ' ' A' ' 31' ' ' HIS . 14.3 pt20 -59.85 -52.2 66.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.456 ' N ' ' HG3' ' A' ' 30' ' ' GLN . 12.8 t60 -60.35 -39.54 87.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -47.97 -20.55 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -57.66 -37.82 74.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.4 m -66.01 -13.05 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -94.66 -25.54 16.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.444 ' CG2' ' O ' ' A' ' 36' ' ' THR . 8.8 t -125.7 83.97 2.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.114 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -164.8 -87.79 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -112.04 68.08 0.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.371 . . . . 0.0 110.854 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -146.22 138.2 13.43 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.553 0.692 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 97.15 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.655 2.237 . . . . 0.0 112.369 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.5 t -127.72 49.75 2.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.15 163.01 37.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -177.28 1.79 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.668 2.245 . . . . 0.0 112.393 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 54.9 p 41.7 45.71 3.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.6 t -44.24 -49.03 9.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.121 -0.822 . . . . 0.0 112.486 -179.994 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.9 t -107.84 153.72 22.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.868 0.366 . . . . 0.0 110.875 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.1 t -81.95 110.61 17.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.45 39.79 5.24 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.521 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.7 p -65.22 142.29 58.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.87 0.367 . . . . 0.0 110.867 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.4 p -135.96 144.05 45.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 8' ' ' THR . . . 124.72 -147.23 16.46 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.419 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 7' ' ' GLY . 74.8 p -36.44 115.33 0.35 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.857 0.361 . . . . 0.0 111.161 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.48 -154.13 11.65 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -151.8 123.74 8.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.945 0.402 . . . . 0.0 110.853 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -45.65 143.98 2.79 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.587 0.708 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.541 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.72 -3.02 11.14 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.694 2.263 . . . . 0.0 112.342 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.541 ' CE2' ' HG2' ' A' ' 12' ' ' PRO . 9.5 m-85 -131.47 126.01 33.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.917 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -151.24 145.17 25.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.2 t -79.12 113.3 17.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.5 tttt -83.26 36.88 0.53 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -126.69 -40.09 1.94 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.6 p -130.21 -39.23 1.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.86 73.44 0.53 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.443 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.4 tttt -141.91 130.32 22.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.822 0.344 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.45 144.34 27.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -132.59 128.8 37.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.3 t -56.42 -38.23 71.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -111.27 148.69 32.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.3 m -60.97 -50.95 71.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.9 t -52.76 -43.53 65.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.105 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.43 ' HA ' ' NE2' ' A' ' 30' ' ' GLN . 9.8 m80 -58.05 -28.16 64.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.5 tp -79.04 -36.99 40.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 51.8 mt -68.17 -41.63 84.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.144 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.43 ' NE2' ' HA ' ' A' ' 27' ' ' HIS . 12.4 pt20 -57.12 -46.98 82.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -58.86 -38.69 79.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -50.43 -23.7 2.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.1 mmp_? -56.43 -29.42 61.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.2 m -71.95 -8.76 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -109.61 -18.83 13.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.9 p -72.99 -54.23 9.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.57 71.35 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.52 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -95.94 57.5 1.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.89 0.376 . . . . 0.0 110.894 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -124.63 147.0 54.43 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.624 0.726 . . . . 0.0 110.848 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 2.4 3.57 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.682 2.255 . . . . 0.0 112.353 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.0 m -163.97 162.12 23.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 130.66 146.31 5.88 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.472 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 109.63 2.35 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.717 2.278 . . . . 0.0 112.342 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.5 m -138.69 166.07 25.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.861 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.4 m -54.36 -61.66 2.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.803 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.079 -0.845 . . . . 0.0 112.494 -179.955 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.7 m 44.08 43.04 5.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.888 0.375 . . . . 0.0 110.906 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 t -86.96 72.2 10.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.893 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.63 107.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.505 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 t -69.05 151.24 46.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.871 0.367 . . . . 0.0 110.856 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -117.03 142.14 47.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.62 92.54 0.53 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.475 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.9 t -97.15 -38.77 9.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.815 0.341 . . . . 0.0 111.125 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.99 106.04 2.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.25 173.91 1.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.901 0.381 . . . . 0.0 110.883 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.411 ' NZ ' ' HB3' ' A' ' 23' ' ' SER . 7.9 mmmm -134.21 156.08 79.38 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.569 0.699 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 0.37 5.77 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.656 2.237 . . . . 0.0 112.318 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -141.44 112.58 7.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.48 ' CG ' ' O ' ' A' ' 20' ' ' LYS . 18.5 tt0 -140.44 132.59 28.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.6 t -63.07 118.96 8.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -84.3 27.09 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -115.53 -34.96 4.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.9 p -130.54 -46.84 1.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.48 26.38 0.88 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.429 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.48 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 5.4 tptp -86.57 159.85 19.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.769 0.318 . . . . 0.0 110.934 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.44 141.75 50.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.118 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.475 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 18.9 m-85 -139.29 126.1 20.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.411 ' HB3' ' NZ ' ' A' ' 11' ' ' LYS . 53.6 p -58.68 -34.65 71.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.413 ' HB2' ' ND1' ' A' ' 27' ' ' HIS . 14.2 mm100 -104.74 150.41 24.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.8 p -65.93 -54.49 25.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.0 t -50.46 -32.79 18.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.47 ' HA ' ' NE2' ' A' ' 30' ' ' GLN . 31.7 m170 -68.42 -27.67 66.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.475 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 13.1 tp -81.73 -28.96 33.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.9 mt -75.76 -41.5 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.475 ' HG3' ' N ' ' A' ' 31' ' ' HIS . 24.6 pt20 -58.9 -47.87 83.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.475 ' N ' ' HG3' ' A' ' 30' ' ' GLN . 8.1 t60 -65.4 -38.47 90.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.821 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -50.76 -25.45 4.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 50.2 mtp85 -55.47 -27.79 50.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.543 HG21 ' CD2' ' A' ' 35' ' ' HIS . 18.1 m -68.35 -17.46 22.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.171 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.543 ' CD2' HG21 ' A' ' 34' ' ' VAL . 47.0 m-70 -115.51 -20.57 10.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.0 p -104.21 56.42 0.72 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -88.33 142.17 17.21 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.527 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -110.83 130.13 55.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.913 0.387 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.4 mttt -100.68 143.78 27.23 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.62 0.724 . . . . 0.0 110.823 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -8.68 24.21 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.698 2.266 . . . . 0.0 112.363 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.1 t -74.34 140.58 44.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -90.78 -81.66 1.4 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 134.92 29.16 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.647 2.231 . . . . 0.0 112.35 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.2 t -138.47 133.52 32.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.807 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 97.0 p -155.05 173.54 16.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.846 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.157 -0.801 . . . . 0.0 112.496 -179.954 . . . . . . . . 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 -0.352 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.1 m -70.49 108.4 4.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.901 0.381 . . . . 0.0 110.852 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.1 t -93.78 147.54 22.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.851 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.89 161.91 12.6 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.479 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.8 t -131.2 112.72 13.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.895 0.379 . . . . 0.0 110.878 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 t -130.85 109.38 10.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.887 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.16 93.83 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.482 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 54.4 p -135.91 139.89 43.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.855 0.359 . . . . 0.0 111.13 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.99 67.57 0.74 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.555 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -94.3 1.92 55.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.902 0.382 . . . . 0.0 110.875 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.51 145.98 95.79 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.584 0.707 . . . . 0.0 110.928 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 2.68 3.31 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.726 2.284 . . . . 0.0 112.325 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.445 ' CE1' ' HB ' ' A' ' 25' ' ' THR . 36.0 m-85 -123.94 121.92 36.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -151.01 140.31 21.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.1 t -78.64 80.72 5.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.6 mtpt -46.71 -20.69 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -60.51 -59.24 5.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.4 p -112.74 -39.07 4.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.03 72.98 0.44 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.507 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.55 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 0.7 OUTLIER -138.47 116.79 11.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.761 0.315 . . . . 0.0 110.895 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.13 133.22 37.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.089 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.559 ' CD1' ' HB3' ' A' ' 27' ' ' HIS . 97.7 m-85 -124.25 149.78 46.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.8 t -63.16 -40.78 98.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -113.95 142.25 46.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.445 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 9.9 t -52.18 -41.38 62.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.148 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.5 t -56.59 -41.64 77.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.559 ' HB3' ' CD1' ' A' ' 22' ' ' PHE . 6.6 m-70 -59.57 -21.8 60.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.878 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.4 tp -87.56 -46.64 9.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 73.3 mt -62.32 -36.55 75.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.493 ' CD ' ' N ' ' A' ' 31' ' ' HIS . 1.6 pp0? -61.99 -51.32 68.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.493 ' N ' ' CD ' ' A' ' 30' ' ' GLN . 7.1 t60 -58.62 -41.34 85.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -42.89 -25.33 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -56.29 -42.96 78.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 26.2 m -52.29 -21.82 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -89.36 -33.2 16.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.9 t -109.28 39.13 2.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.167 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -72.9 156.99 52.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.51 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -90.65 49.64 1.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.949 0.404 . . . . 0.0 110.918 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -108.5 72.86 0.45 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.561 0.696 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 124.81 11.47 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.709 2.273 . . . . 0.0 112.333 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.7 m -115.05 144.97 42.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 136.44 83.05 0.13 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.467 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -8.8 24.52 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.694 2.263 . . . . 0.0 112.345 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.6 m -48.06 -50.9 26.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.8 p -112.12 -45.65 3.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.496 180.0 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.6 m -97.08 -61.89 1.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.938 0.399 . . . . 0.0 110.831 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.2 p -69.81 119.35 13.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.861 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.68 115.77 1.32 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 m -75.6 -43.89 45.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.85 0.357 . . . . 0.0 110.847 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t 64.02 42.14 5.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.882 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.97 66.25 0.27 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.9 p -114.24 -47.33 2.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.821 0.343 . . . . 0.0 111.139 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 126.1 145.45 6.39 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.481 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -76.33 116.16 16.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.882 0.372 . . . . 0.0 110.887 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -133.0 88.08 38.0 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.535 0.683 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 2.52 3.46 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.657 2.238 . . . . 0.0 112.347 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.536 ' CE1' HG23 ' A' ' 25' ' ' THR . 22.9 m-85 -113.41 112.33 23.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -138.88 156.54 47.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.9 t -83.81 122.67 28.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.1 mttt -87.85 34.59 0.72 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -127.42 -38.02 1.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.2 p -126.75 -41.83 1.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.75 67.25 0.47 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.9 tttt -132.86 122.62 24.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.772 0.32 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.91 139.35 31.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -128.82 146.19 50.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.7 p -86.06 -2.39 58.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -127.76 116.41 20.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.94 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.536 HG23 ' CE1' ' A' ' 13' ' ' TYR . 27.6 p -45.36 -49.97 12.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.175 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.7 t -56.33 -34.32 66.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.148 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -60.62 -46.08 91.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.826 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.1 tp -61.79 -48.92 78.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.4 mt -59.83 -41.77 86.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -72.37 -32.11 66.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 25.2 t60 -62.24 -46.26 89.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -47.23 -23.77 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -56.56 -42.66 78.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.2 m -54.96 -24.7 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -87.55 14.02 9.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.6 t -73.83 -42.28 61.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.09 159.4 53.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.493 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.419 ' C ' ' HG2' ' A' ' 39' ' ' LYS . 31.2 tt0 -89.04 72.39 8.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.914 0.388 . . . . 0.0 110.904 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.419 ' HG2' ' C ' ' A' ' 38' ' ' GLU . 40.9 mmtm -151.52 141.02 14.12 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.551 0.691 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -8.06 22.63 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.714 2.276 . . . . 0.0 112.348 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 95.7 p -45.83 122.17 3.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 168.32 144.88 4.34 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 126.13 12.97 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.721 2.281 . . . . 0.0 112.343 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.7 p -90.12 -47.84 7.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.856 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 80.3 p -64.63 164.6 11.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.853 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 CA-C-O 119.1 -0.834 . . . . 0.0 112.495 179.981 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? . . . . . 0 C--O 1.232 0.167 0 CA-C-O 121.56 0.695 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 0.91 4.94 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.678 2.252 . . . . 0.0 112.327 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.521 ' CE1' HG22 ' A' ' 25' ' ' THR . 10.6 m-85 -113.74 109.11 18.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.946 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -141.14 133.23 27.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.9 t -64.41 126.24 27.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.2 mtpt -93.64 24.15 4.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -117.19 -37.37 3.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -127.04 -42.24 1.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.35 70.51 0.51 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.6 ttmm -137.04 124.3 21.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.798 0.332 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.94 132.69 44.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -120.93 155.7 33.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.1 t -97.36 22.12 9.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -155.57 119.57 4.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.521 HG22 ' CE1' ' A' ' 13' ' ' TYR . 41.0 p -49.99 -41.28 46.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.167 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.418 ' H ' HG22 ' A' ' 26' ' ' THR . 0.6 OUTLIER -62.95 -31.62 72.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -66.73 -44.47 81.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.5 tp -61.09 -45.72 93.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.4 mt -62.11 -36.43 74.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -69.29 -47.2 65.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.943 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.875 ' O ' HG22 ' A' ' 34' ' ' VAL . 61.1 t60 -51.49 -44.53 62.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 43.8 mm-40 -44.72 -31.83 1.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 43.4 mtt-85 -48.04 -44.32 30.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.838 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.875 HG22 ' O ' ' A' ' 31' ' ' HIS . 20.7 m -61.09 -27.74 42.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 179.946 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.407 ' CD ' ' HA ' ' A' ' 23' ' ' SER . 18.7 mtmt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 121.631 0.729 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 1.31 4.59 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.627 2.218 . . . . 0.0 112.347 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -117.47 113.59 22.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.933 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -139.89 143.26 36.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.4 t -76.37 123.01 25.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -87.98 21.24 2.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.511 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 2.2 mm-40 -113.94 -33.39 5.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.8 p -131.7 -43.17 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.851 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.23 54.46 0.38 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -123.94 128.57 49.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.795 0.331 . . . . 0.0 110.86 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.14 138.99 34.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.062 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -124.84 129.98 51.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.407 ' HA ' ' CD ' ' A' ' 11' ' ' LYS . 96.6 p -51.23 -43.14 61.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -107.47 148.13 29.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.946 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.9 p -62.89 -52.64 62.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.0 t -44.09 -34.65 1.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.18 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -65.23 -42.32 93.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.4 tp -72.96 -53.84 10.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.6 mt -46.68 -44.36 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.127 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -71.1 -42.97 68.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.712 ' O ' HG22 ' A' ' 34' ' ' VAL . 57.2 t60 -57.52 -37.08 72.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -58.52 -13.63 6.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.9 mmt85 -68.6 -29.13 67.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.712 HG22 ' O ' ' A' ' 31' ' ' HIS . 10.2 m -70.55 -18.94 21.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.511 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 97.3 m-70 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.457 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 121.563 0.696 . . . . 0.0 110.865 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 2.63 3.36 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.318 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.42 ' CZ ' ' OG1' ' A' ' 25' ' ' THR . 60.0 m-85 -139.4 131.99 28.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.859 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -157.96 147.54 19.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.0 t -80.33 120.4 24.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.68 32.56 0.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -125.28 -33.06 2.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.3 p -132.48 -41.66 0.96 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.93 65.93 0.45 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.514 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.35 119.02 20.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.819 0.342 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.457 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -96.84 138.7 33.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.532 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 55.9 m-85 -126.74 129.95 49.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 81.6 p -49.84 -41.14 44.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -110.77 153.61 25.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.42 ' OG1' ' CZ ' ' A' ' 13' ' ' TYR . 18.7 m -65.01 -52.63 54.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.429 HG23 ' N ' ' A' ' 27' ' ' HIS . 9.5 t -47.21 -41.46 18.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.429 ' N ' HG23 ' A' ' 26' ' ' THR . 4.0 m-70 -55.89 -43.65 77.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.79 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.2 tp -66.85 -54.44 22.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.5 mt -46.63 -39.58 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -71.71 -41.21 68.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.716 ' O ' HG22 ' A' ' 34' ' ' VAL . 8.2 t60 -51.13 -35.1 33.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -51.25 -18.14 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 69.9 mtt180 -60.23 -42.11 94.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.716 HG22 ' O ' ' A' ' 31' ' ' HIS . 18.0 m -58.12 -19.32 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.953 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.56 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.577 0.703 . . . . 0.0 110.919 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -8.02 22.53 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.691 2.261 . . . . 0.0 112.366 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.527 ' CE1' ' HB ' ' A' ' 25' ' ' THR . 36.9 m-85 -128.13 124.24 36.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -144.46 147.71 33.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.7 t -80.93 126.69 31.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.6 mmmt -94.29 26.36 3.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.522 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 4.1 mm-40 -121.27 -34.91 3.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.5 p -129.59 -41.09 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.1 61.02 0.45 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.443 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.5 tttm -131.37 128.55 39.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.796 0.331 . . . . 0.0 110.928 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.56 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -98.7 138.77 35.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.094 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.451 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 3.1 m-85 -120.94 146.67 46.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.6 t -62.48 -40.68 97.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -108.36 151.62 25.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.945 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.527 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 5.5 t -71.0 -39.76 72.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.168 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.3 t -61.08 -31.49 71.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.153 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -65.49 -41.72 92.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.827 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.418 HD13 ' CE1' ' A' ' 22' ' ' PHE . 55.2 tp -68.85 -28.73 66.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.939 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 8.1 mt -70.27 -41.65 78.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -71.51 -34.73 70.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.983 ' O ' HG22 ' A' ' 34' ' ' VAL . 21.5 t60 -68.33 -24.84 64.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -62.19 -17.32 57.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -60.72 -27.93 68.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.983 HG22 ' O ' ' A' ' 31' ' ' HIS . 35.7 m -73.44 -9.84 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.522 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 86.8 m-70 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.478 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 121.572 0.701 . . . . 0.0 110.872 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.524 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.8 Cg_endo -69.79 -11.59 31.12 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.686 2.257 . . . . 0.0 112.366 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.524 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 26.4 m-85 -134.71 128.87 33.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.453 ' HG3' ' HB2' ' A' ' 21' ' ' ALA . 18.3 tt0 -148.28 136.75 21.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 50.7 t -69.06 117.81 11.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -88.0 39.39 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -134.35 -39.13 0.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.3 p -124.56 -41.23 2.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.7 60.33 0.4 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.539 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.4 tttp -131.62 123.14 27.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.838 0.352 . . . . 0.0 110.866 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.478 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -99.22 137.41 37.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.446 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 93.0 m-85 -119.63 128.97 54.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.4 p -52.42 -19.25 2.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -128.12 144.91 51.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.488 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 9.4 t -65.09 -43.31 92.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.178 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.453 ' N ' HG23 ' A' ' 25' ' ' THR . 5.2 t -59.06 -35.51 73.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.148 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.432 ' HB3' ' CD2' ' A' ' 22' ' ' PHE . 10.3 m170 -59.17 -38.69 80.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.2 tp -69.7 -38.33 76.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.5 mm -53.69 -47.03 62.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -72.51 -35.08 68.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.677 ' O ' HG22 ' A' ' 34' ' ' VAL . 34.8 t60 -60.41 -42.37 95.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -57.8 -24.1 55.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.2 mmt85 -56.87 -33.24 66.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.677 HG22 ' O ' ' A' ' 31' ' ' HIS . 4.8 m -64.27 -27.46 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 179.901 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 121.586 0.708 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.583 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.7 0.48 5.53 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.675 2.25 . . . . 0.0 112.375 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.609 ' CE1' HG22 ' A' ' 25' ' ' THR . 24.1 m-85 -137.23 131.01 31.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.953 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -153.7 150.71 28.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.9 t -91.98 102.03 14.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.2 mttm -63.92 -14.67 55.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -67.62 -59.06 3.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.6 p -112.05 -44.23 3.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.65 67.28 0.29 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.536 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 16.8 tttp -135.01 123.02 22.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.779 0.324 . . . . 0.0 110.894 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.27 144.15 28.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.083 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.536 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 46.0 m-85 -133.71 137.58 45.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.0 m -51.33 -47.53 62.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -107.92 155.78 19.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.609 HG22 ' CE1' ' A' ' 13' ' ' TYR . 36.7 p -62.63 -51.7 66.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.6 p -45.41 -48.19 13.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -52.45 -30.27 28.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.6 tp -82.58 -26.07 32.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.963 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.1 mm -72.93 -45.09 56.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.1 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.543 ' CG ' ' N ' ' A' ' 31' ' ' HIS . 9.6 pt20 -58.18 -50.71 72.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.872 ' O ' HG22 ' A' ' 34' ' ' VAL . 18.3 t60 -49.58 -48.34 48.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 31' ' ' HIS . 11.9 mm100 -37.28 -28.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 31' ' ' HIS . 59.0 mtp180 -50.72 -47.83 59.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.819 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.872 HG22 ' O ' ' A' ' 31' ' ' HIS . 24.2 m -54.03 -24.59 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 55.2 m-70 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.908 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.432 ' HD3' ' C ' ' A' ' 22' ' ' PHE . 38.2 mttt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 121.557 0.694 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -3.78 12.69 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.706 2.271 . . . . 0.0 112.315 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.657 ' CD1' HG22 ' A' ' 25' ' ' THR . 4.3 m-85 -119.11 115.5 24.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.894 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -138.97 146.25 40.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.6 t -79.24 115.02 18.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.01 0.08 37.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -91.47 -41.64 10.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.46 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 20.1 p -127.11 -37.17 2.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.2 69.45 0.64 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.477 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.09 124.52 26.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.818 0.342 . . . . 0.0 110.934 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.99 135.71 35.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.432 ' C ' ' HD3' ' A' ' 11' ' ' LYS . 72.2 m-85 -126.69 142.27 51.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.0 p -61.04 -38.62 86.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -113.09 138.76 49.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.657 HG22 ' CD1' ' A' ' 13' ' ' TYR . 69.1 p -56.09 -44.38 78.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.405 ' HA ' HD12 ' A' ' 29' ' ' ILE . 10.3 p -48.88 -58.37 4.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -44.14 -46.7 8.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.9 tp -58.23 -50.01 75.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.405 HD12 ' HA ' ' A' ' 26' ' ' THR . 23.8 mt -59.09 -45.42 92.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -63.31 -24.94 68.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.598 ' O ' HG22 ' A' ' 34' ' ' VAL . 37.2 t60 -78.25 -30.12 48.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.797 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -62.2 -10.91 12.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -67.58 -27.58 67.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.598 HG22 ' O ' ' A' ' 31' ' ' HIS . 5.3 m -78.14 -19.19 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.46 ' CE1' ' HB3' ' A' ' 18' ' ' CYS . 44.0 m-70 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 121.567 0.698 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -0.38 6.88 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.676 2.251 . . . . 0.0 112.348 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -115.08 113.38 23.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -148.56 133.93 18.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.2 t -64.29 125.25 23.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -93.91 28.97 2.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -121.61 -38.17 2.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.2 p -128.53 -40.93 1.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.9 84.97 1.4 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.493 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.4 tttt -154.82 125.75 7.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.804 0.335 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.81 148.98 21.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -134.85 130.77 36.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.1 t -48.39 -46.17 36.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -107.5 158.39 17.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 85.6 m -72.71 -44.01 62.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 t -55.67 -28.29 54.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.156 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -71.26 -39.52 71.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.9 tp -68.02 -44.1 77.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 69.9 mt -58.9 -47.24 90.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.16 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.486 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 70.9 mm-40 -58.43 -41.34 84.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -61.58 -47.23 86.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -41.57 -27.72 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.486 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 32.1 mmt180 -42.37 -45.96 4.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.409 HG23 ' N ' ' A' ' 35' ' ' HIS . 8.2 m -49.73 -39.31 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.409 ' N ' HG23 ' A' ' 34' ' ' VAL . 37.3 m-70 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.442 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.587 0.708 . . . . 0.0 110.904 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -3.22 11.57 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 2.242 . . . . 0.0 112.375 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -123.19 116.39 23.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.953 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -149.31 158.41 44.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 39.0 t -94.67 111.41 23.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.834 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.1 mtpt -71.23 -19.02 62.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -65.65 -53.07 46.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.4 p -112.18 -45.12 3.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.66 69.79 0.52 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.527 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.3 tttp -138.77 124.13 19.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.834 0.349 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.442 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -96.34 141.12 30.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -124.59 145.95 49.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.8 t -58.61 -45.37 89.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -113.37 141.25 47.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.94 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.1 m -53.39 -46.51 69.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.9 p -45.58 -40.2 8.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.177 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 43.4 m170 -61.79 -40.68 96.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.1 tp -71.07 -55.82 7.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 94.6 mt -42.93 -49.37 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.102 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -64.07 -43.01 96.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.98 ' O ' HG22 ' A' ' 34' ' ' VAL . 22.3 t60 -60.47 -41.28 93.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -48.36 -27.71 2.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -53.7 -38.29 64.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.98 HG22 ' O ' ' A' ' 31' ' ' HIS . 32.8 m -61.27 -11.2 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 38.9 m80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.933 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.475 ' HE3' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 121.622 0.725 . . . . 0.0 110.883 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -0.04 6.32 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.692 2.261 . . . . 0.0 112.348 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.569 ' CD1' HG22 ' A' ' 25' ' ' THR . 5.6 m-85 -109.86 111.53 23.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -138.83 156.82 47.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 19' ' ' GLY . 8.5 t -93.15 78.67 4.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.414 ' C ' ' HD2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -43.23 -24.11 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' ' 15' ' ' CYS . 44.1 mm-40 -62.33 -52.54 63.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.828 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.3 p -112.05 -43.69 3.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 114.71 64.24 0.41 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.9 tttp -137.83 128.39 26.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.763 0.316 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.19 142.24 30.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.048 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.405 ' CE1' HD13 ' A' ' 28' ' ' LEU . 26.4 m-85 -122.39 154.18 38.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 87.9 p -73.95 -20.27 60.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.859 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -134.65 138.06 44.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.569 HG22 ' CD1' ' A' ' 13' ' ' TYR . 59.4 p -52.54 -51.48 59.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.147 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.5 p -50.0 -44.75 51.26 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.524 ' HA ' ' NE2' ' A' ' 30' ' ' GLN . 1.5 t-80 -60.39 -30.95 69.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.864 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.405 HD13 ' CE1' ' A' ' 22' ' ' PHE . 15.4 tp -76.76 -30.17 56.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.936 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.3 mt -74.9 -42.59 46.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.088 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.524 ' NE2' ' HA ' ' A' ' 27' ' ' HIS . 5.9 pt20 -54.77 -46.58 74.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.64 ' O ' HG22 ' A' ' 34' ' ' VAL . 24.3 t60 -58.6 -48.74 79.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.814 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 -40.22 -25.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 31' ' ' HIS . 12.4 mmm180 -52.6 -46.34 66.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.64 HG22 ' O ' ' A' ' 31' ' ' HIS . 22.5 m -57.41 -28.6 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 56.9 m-70 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 179.982 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.655 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 2.6 mptt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.588 0.709 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -7.71 21.75 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.681 2.254 . . . . 0.0 112.359 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.555 ' CE1' ' HB ' ' A' ' 25' ' ' THR . 8.6 m-85 -123.95 108.21 12.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -137.33 139.49 40.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.5 t -67.15 123.12 19.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -91.19 31.87 1.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -126.55 -38.2 2.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.1 p -124.55 -42.45 2.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.51 65.76 0.46 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.499 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.1 tttp -135.75 122.71 21.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.826 0.346 . . . . 0.0 110.849 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.655 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -99.67 137.65 37.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.104 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -124.54 132.43 53.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.8 p -43.17 -49.39 6.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.552 ' HB3' HG22 ' A' ' 26' ' ' THR . 46.0 mt-30 -101.52 132.52 47.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.555 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 5.5 t -56.68 -37.91 71.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.552 HG22 ' HB3' ' A' ' 24' ' ' GLN . 4.6 t -55.96 -36.13 67.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.101 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.0 m80 -60.77 -39.85 90.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.848 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.1 tp -68.86 -32.64 72.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.7 mm -57.25 -46.85 85.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.145 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.1 mm100 -70.52 -41.31 72.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.769 ' O ' HG22 ' A' ' 34' ' ' VAL . 31.8 t60 -57.85 -44.66 86.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.846 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -45.01 -30.02 0.95 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.9 mmm-85 -52.76 -39.43 62.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.769 HG22 ' O ' ' A' ' 31' ' ' HIS . 14.4 m -57.45 -14.86 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.164 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.539 ' CD2' HG23 ' A' ' 34' ' ' VAL . 78.6 m-70 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.7 mtmm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.616 0.722 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 0.17 6.0 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.704 2.27 . . . . 0.0 112.357 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.461 ' HB3' HD22 ' A' ' 28' ' ' LEU . 14.6 m-85 -120.75 120.08 34.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -150.59 135.38 17.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.1 t -69.23 118.46 12.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -87.52 30.49 0.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -123.05 -40.2 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.0 p -127.03 -40.48 1.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.92 71.62 0.52 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.1 ttmt -138.33 124.34 20.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.829 0.347 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.25 143.15 30.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.123 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.457 ' CD2' ' HB3' ' A' ' 27' ' ' HIS . 95.0 m-85 -131.37 135.92 47.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.4 m -57.33 -38.68 74.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -106.51 174.64 5.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.4 p -87.25 -41.49 13.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.183 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.418 ' H ' HG22 ' A' ' 26' ' ' THR . 0.8 OUTLIER -60.76 -31.05 70.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.457 ' HB3' ' CD2' ' A' ' 22' ' ' PHE . 15.6 m80 -70.86 -26.39 63.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.461 HD22 ' HB3' ' A' ' 13' ' ' TYR . 16.9 tp -85.88 -47.09 9.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 78.3 mt -59.19 -40.99 82.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.542 ' CG ' ' N ' ' A' ' 31' ' ' HIS . 4.2 pt20 -60.58 -50.65 72.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.563 ' O ' HG22 ' A' ' 34' ' ' VAL . 6.1 t60 -60.84 -40.83 94.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -45.53 -25.99 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -52.25 -41.75 63.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.563 HG22 ' O ' ' A' ' 31' ' ' HIS . 11.1 m -56.48 -14.8 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 179.949 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.6 mmtt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.618 0.723 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 1.26 4.64 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.716 2.277 . . . . 0.0 112.321 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -120.7 116.38 25.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -144.54 157.16 44.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 19' ' ' GLY . 35.2 t -98.93 106.55 18.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -62.64 -25.83 68.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -56.11 -58.79 6.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.4 p -110.31 -40.18 4.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 109.39 63.8 0.54 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.479 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.2 tttm -131.06 128.66 40.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.789 0.328 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.18 139.84 34.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -124.05 137.15 54.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.844 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.5 m -58.04 -42.71 85.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.849 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -97.66 167.38 10.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 39.7 p -86.63 -47.8 8.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.156 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.7 t -57.12 -24.63 55.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -68.58 -41.49 79.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.7 tp -67.01 -50.95 60.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 59.9 mt -52.93 -44.68 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -67.62 -38.71 84.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.522 ' O ' HG22 ' A' ' 34' ' ' VAL . 10.4 t60 -60.68 -51.33 69.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.823 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -39.4 -29.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 31' ' ' HIS . 10.4 mmm180 -49.89 -46.61 51.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.522 HG22 ' O ' ' A' ' 31' ' ' HIS . 16.9 m -47.91 -25.87 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 179.927 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.566 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 21.9 mmtt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.56 0.695 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -2.98 11.1 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.645 2.23 . . . . 0.0 112.355 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.402 ' CE1' ' HB ' ' A' ' 25' ' ' THR . 22.2 m-85 -126.84 112.42 15.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.945 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.523 ' O ' HD21 ' A' ' 28' ' ' LEU . 10.9 tt0 -136.17 159.29 42.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.0 t -97.51 119.67 36.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.3 mmtt -85.64 29.79 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -122.91 -33.31 3.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.6 p -129.86 -44.24 1.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.53 58.81 0.37 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -129.88 133.34 46.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.566 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -101.88 137.65 39.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.123 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -123.17 129.16 51.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 91.6 p -51.33 -40.35 58.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -104.27 146.33 28.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.433 HG23 ' N ' ' A' ' 26' ' ' THR . 7.4 t -66.2 -43.54 86.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.433 ' N ' HG23 ' A' ' 25' ' ' THR . 2.8 t -60.14 -27.46 67.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.136 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -67.26 -41.65 85.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.843 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.523 HD21 ' O ' ' A' ' 14' ' ' GLU . 43.8 tp -66.39 -52.06 50.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.1 mt -56.37 -45.5 81.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.489 ' HA ' ' CD ' ' A' ' 33' ' ' ARG . 45.0 mm-40 -62.54 -26.09 68.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.595 ' O ' HG13 ' A' ' 34' ' ' VAL . 9.2 t60 -81.07 -36.89 29.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -52.25 -20.92 2.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.489 ' CD ' ' HA ' ' A' ' 30' ' ' GLN . 1.4 mpt_? -59.1 -35.29 73.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.595 HG13 ' O ' ' A' ' 31' ' ' HIS . 2.3 m -59.95 -23.35 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.131 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.944 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.444 ' HE3' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.599 0.714 . . . . 0.0 110.921 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 0.86 5.0 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.703 2.268 . . . . 0.0 112.376 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.549 ' CE1' ' HB ' ' A' ' 25' ' ' THR . 45.9 m-85 -135.92 127.81 29.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -157.13 131.84 8.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.5 t -62.45 118.34 7.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.87 40.2 0.89 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -133.31 -43.65 0.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.6 p -120.05 -40.15 2.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.51 65.71 0.46 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.482 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt -131.48 119.59 21.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.801 0.334 . . . . 0.0 110.918 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.85 134.74 42.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -120.33 153.63 36.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.6 t -60.49 -46.54 89.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -111.62 168.78 9.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.549 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 10.2 t -77.18 -41.74 40.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.171 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.675 ' HA ' HD12 ' A' ' 29' ' ' ILE . 5.9 t -54.87 -32.76 61.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 46.7 m170 -62.95 -44.98 94.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.6 tp -63.37 -43.42 97.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.675 HD12 ' HA ' ' A' ' 26' ' ' THR . 71.3 mt -52.0 -49.96 36.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -63.24 -40.72 98.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 33' ' ' ARG . 21.0 t60 -57.95 -45.81 86.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -42.57 -23.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 31' ' ' HIS . 82.6 mtt180 -52.05 -40.96 61.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.488 HG23 ' CE1' ' A' ' 35' ' ' HIS . 14.0 m -57.2 -16.82 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.488 ' CE1' HG23 ' A' ' 34' ' ' VAL . 48.5 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.3 mmtp . . . . . 0 C--O 1.232 0.137 0 CA-C-O 121.591 0.71 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -4.81 14.8 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.72 2.28 . . . . 0.0 112.317 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.413 ' CE1' ' HB ' ' A' ' 25' ' ' THR . 26.6 m-85 -115.22 113.66 24.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -141.66 151.03 42.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 19' ' ' GLY . 5.2 t -87.93 89.73 8.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.867 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -55.21 -16.35 3.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -72.38 -52.6 15.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.3 p -111.85 -44.19 3.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 115.93 61.37 0.35 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.482 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.3 tttp -130.49 124.74 32.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.804 0.335 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.66 137.8 33.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -126.8 142.86 51.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.8 t -52.04 -46.57 65.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -113.11 160.44 18.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.413 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 9.8 t -69.4 -38.19 77.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.3 p -58.8 -33.89 70.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.421 ' HA ' ' CD ' ' A' ' 30' ' ' GLN . 18.0 m-70 -70.22 -21.87 62.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.4 tp -87.95 -44.21 11.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.952 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.6 mt -62.14 -38.27 80.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.471 ' HG3' ' N ' ' A' ' 31' ' ' HIS . 14.3 pt20 -59.85 -52.2 66.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.79 ' O ' HG22 ' A' ' 34' ' ' VAL . 12.8 t60 -60.35 -39.54 87.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -47.97 -20.55 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -57.66 -37.82 74.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.79 HG22 ' O ' ' A' ' 31' ' ' HIS . 28.4 m -66.01 -13.05 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.945 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.7 mptt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.587 0.708 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.562 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.72 -3.02 11.14 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.694 2.263 . . . . 0.0 112.342 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.562 ' CE2' ' HG2' ' A' ' 12' ' ' PRO . 9.5 m-85 -131.47 126.01 33.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.917 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -151.24 145.17 25.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.2 t -79.12 113.3 17.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.5 tttt -83.26 36.88 0.53 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -126.69 -40.09 1.94 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.6 p -130.21 -39.23 1.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.86 73.44 0.53 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.443 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.4 tttt -141.91 130.32 22.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.822 0.344 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.45 144.34 27.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -132.59 128.8 37.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.3 t -56.42 -38.23 71.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -111.27 148.69 32.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.3 m -60.97 -50.95 71.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.457 HG23 ' N ' ' A' ' 27' ' ' HIS . 9.9 t -52.76 -43.53 65.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.105 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.457 ' N ' HG23 ' A' ' 26' ' ' THR . 9.8 m80 -58.05 -28.16 64.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.5 tp -79.04 -36.99 40.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 51.8 mt -68.17 -41.63 84.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.144 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.44 ' NE2' ' HA ' ' A' ' 27' ' ' HIS . 12.4 pt20 -57.12 -46.98 82.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.916 ' O ' HG22 ' A' ' 34' ' ' VAL . 11.9 t60 -58.86 -38.69 79.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -50.43 -23.7 2.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.1 mmp_? -56.43 -29.42 61.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.916 HG22 ' O ' ' A' ' 31' ' ' HIS . 33.2 m -71.95 -8.76 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.919 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.427 ' NZ ' ' HB3' ' A' ' 23' ' ' SER . 7.9 mmmm . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.569 0.699 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.4 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.8 0.37 5.77 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.656 2.237 . . . . 0.0 112.318 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.4 ' CE2' ' HG2' ' A' ' 12' ' ' PRO . 26.2 m-85 -141.44 112.58 7.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.48 ' CG ' ' O ' ' A' ' 20' ' ' LYS . 18.5 tt0 -140.44 132.59 28.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.6 t -63.07 118.96 8.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -84.3 27.09 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -115.53 -34.96 4.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.9 p -130.54 -46.84 1.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.48 26.38 0.88 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.429 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.48 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 5.4 tptp -86.57 159.85 19.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.769 0.318 . . . . 0.0 110.934 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.44 141.75 50.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.118 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.479 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 18.9 m-85 -139.29 126.1 20.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.427 ' HB3' ' NZ ' ' A' ' 11' ' ' LYS . 53.6 p -58.68 -34.65 71.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.419 ' HB2' ' ND1' ' A' ' 27' ' ' HIS . 14.2 mm100 -104.74 150.41 24.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.8 p -65.93 -54.49 25.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.0 t -50.46 -32.79 18.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.419 ' ND1' ' HB2' ' A' ' 24' ' ' GLN . 31.7 m170 -68.42 -27.67 66.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.485 ' O ' HD12 ' A' ' 28' ' ' LEU . 13.1 tp -81.73 -28.96 33.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.9 mt -75.76 -41.5 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.489 ' HG3' ' N ' ' A' ' 31' ' ' HIS . 2.4 pt20 -58.9 -47.87 83.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.748 ' O ' HG22 ' A' ' 34' ' ' VAL . 8.1 t60 -65.4 -38.47 90.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.821 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -50.76 -25.45 4.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 50.2 mtp85 -55.47 -27.79 50.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.748 HG22 ' O ' ' A' ' 31' ' ' HIS . 18.1 m -68.35 -17.46 22.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.171 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.506 ' CD2' HG23 ' A' ' 34' ' ' VAL . 47.0 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.584 0.707 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 2.68 3.31 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.726 2.284 . . . . 0.0 112.325 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.453 ' CE1' ' HB ' ' A' ' 25' ' ' THR . 36.0 m-85 -123.94 121.92 36.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -151.01 140.31 21.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.1 t -78.64 80.72 5.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.6 mtpt -46.71 -20.69 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -60.51 -59.24 5.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.4 p -112.74 -39.07 4.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.03 72.98 0.44 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.507 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.541 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 0.7 OUTLIER -138.47 116.79 11.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.761 0.315 . . . . 0.0 110.895 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.13 133.22 37.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.089 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.569 ' CD1' ' HB3' ' A' ' 27' ' ' HIS . 97.7 m-85 -124.25 149.78 46.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.8 t -63.16 -40.78 98.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -113.95 142.25 46.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.453 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 9.9 t -52.18 -41.38 62.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.148 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.423 ' N ' HG23 ' A' ' 25' ' ' THR . 7.5 t -56.59 -41.64 77.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.569 ' HB3' ' CD1' ' A' ' 22' ' ' PHE . 6.6 m-70 -59.57 -21.8 60.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.878 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.4 tp -87.56 -46.64 9.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 73.3 mt -62.32 -36.55 75.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.493 ' CD ' ' N ' ' A' ' 31' ' ' HIS . 1.6 pp0? -61.99 -51.32 68.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.981 ' O ' HG22 ' A' ' 34' ' ' VAL . 7.1 t60 -58.62 -41.34 85.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -42.89 -25.33 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -56.29 -42.96 78.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.981 HG22 ' O ' ' A' ' 31' ' ' HIS . 26.2 m -52.29 -21.82 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 179.962 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.408 ' HA ' ' HD2' ' A' ' 12' ' ' PRO . 6.2 mtmp? . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.535 0.683 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 11' ' ' LYS . 54.0 Cg_endo -69.77 2.52 3.46 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.657 2.238 . . . . 0.0 112.347 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.593 ' CE1' HG22 ' A' ' 25' ' ' THR . 22.9 m-85 -113.41 112.33 23.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -138.88 156.54 47.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.9 t -83.81 122.67 28.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.1 mttt -87.85 34.59 0.72 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -127.42 -38.02 1.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.2 p -126.75 -41.83 1.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.75 67.25 0.47 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.9 tttt -132.86 122.62 24.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.772 0.32 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.91 139.35 31.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -128.82 146.19 50.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.7 p -86.06 -2.39 58.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -127.76 116.41 20.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.94 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.593 HG22 ' CE1' ' A' ' 13' ' ' TYR . 27.6 p -45.36 -49.97 12.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.175 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.7 t -56.33 -34.32 66.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.148 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -60.62 -46.08 91.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.826 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.1 tp -61.79 -48.92 78.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.4 mt -59.83 -41.77 86.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -72.37 -32.11 66.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.578 ' O ' HG22 ' A' ' 34' ' ' VAL . 25.2 t60 -62.24 -46.26 89.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -47.23 -23.77 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -56.56 -42.66 78.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.578 HG22 ' O ' ' A' ' 31' ' ' HIS . 6.2 m -54.96 -24.7 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.917 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 t 67.44 41.56 2.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.372 . . . . 0.0 110.857 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.4 t -84.08 -46.64 11.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.864 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 66.66 -136.58 33.78 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 4' ' ' GLY . 77.6 p 38.08 43.23 0.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.865 0.364 . . . . 0.0 110.847 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.0 m -124.45 110.79 14.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.31 42.79 3.18 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.2 p -39.59 -45.4 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.848 0.356 . . . . 0.0 111.188 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -143.25 -67.55 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.473 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -38.85 142.49 0.21 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.888 0.375 . . . . 0.0 110.923 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? -64.23 149.51 94.21 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.56 0.695 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 0.91 4.94 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.678 2.252 . . . . 0.0 112.327 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.521 ' CE1' HG22 ' A' ' 25' ' ' THR . 10.6 m-85 -113.74 109.11 18.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.946 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -141.14 133.23 27.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.9 t -64.41 126.24 27.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.2 mtpt -93.64 24.15 4.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -117.19 -37.37 3.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -127.04 -42.24 1.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.35 70.51 0.51 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.6 ttmm -137.04 124.3 21.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.798 0.332 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.94 132.69 44.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -120.93 155.7 33.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.1 t -97.36 22.12 9.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -155.57 119.57 4.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.521 HG22 ' CE1' ' A' ' 13' ' ' TYR . 41.0 p -49.99 -41.28 46.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.167 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.418 ' H ' HG22 ' A' ' 26' ' ' THR . 0.6 OUTLIER -62.95 -31.62 72.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -66.73 -44.47 81.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.5 tp -61.09 -45.72 93.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.4 mt -62.11 -36.43 74.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -69.29 -47.2 65.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.943 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.875 ' O ' HG22 ' A' ' 34' ' ' VAL . 61.1 t60 -51.49 -44.53 62.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 43.8 mm-40 -44.72 -31.83 1.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 43.4 mtt-85 -48.04 -44.32 30.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.838 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.875 HG22 ' O ' ' A' ' 31' ' ' HIS . 20.7 m -61.09 -27.74 42.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -84.2 -27.45 28.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.2 t -111.85 53.38 0.73 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.161 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -177.25 52.45 0.1 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -127.21 167.63 15.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.904 0.383 . . . . 0.0 110.903 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -107.31 81.05 0.95 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.605 0.717 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 41' ' ' SER . 53.7 Cg_endo -69.74 117.95 5.39 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.688 2.259 . . . . 0.0 112.362 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 40' ' ' PRO . 1.8 t -36.49 125.78 0.83 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.23 64.77 2.54 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.473 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 102.37 1.03 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.722 2.281 . . . . 0.0 112.316 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.9 p -90.35 -52.36 4.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.809 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.6 p -154.5 175.1 14.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.83 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 119.059 -0.856 . . . . 0.0 112.444 179.998 . . . . . . . . 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 -0.357 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.1 m -160.5 147.84 15.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.892 0.377 . . . . 0.0 110.842 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -148.88 136.58 20.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.852 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.78 167.01 32.05 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.52 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m -127.23 81.94 2.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.908 0.385 . . . . 0.0 110.861 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 t -118.62 42.46 2.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.838 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.68 134.73 3.87 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 70.0 p -56.4 155.14 7.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.866 0.365 . . . . 0.0 111.169 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -161.26 -49.57 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.498 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.8 mp0 -49.91 151.28 1.91 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.929 0.395 . . . . 0.0 110.899 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.407 ' CD ' ' HA ' ' A' ' 23' ' ' SER . 18.7 mtmt -127.84 143.93 49.49 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.631 0.729 . . . . 0.0 110.844 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 1.31 4.59 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.627 2.218 . . . . 0.0 112.347 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -117.47 113.59 22.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.933 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -139.89 143.26 36.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.4 t -76.37 123.01 25.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -87.98 21.24 2.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.511 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 2.2 mm-40 -113.94 -33.39 5.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.8 p -131.7 -43.17 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.851 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.23 54.46 0.38 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -123.94 128.57 49.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.795 0.331 . . . . 0.0 110.86 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.14 138.99 34.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.062 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -124.84 129.98 51.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.407 ' HA ' ' CD ' ' A' ' 11' ' ' LYS . 96.6 p -51.23 -43.14 61.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -107.47 148.13 29.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.946 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.9 p -62.89 -52.64 62.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.0 t -44.09 -34.65 1.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.18 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -65.23 -42.32 93.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.4 tp -72.96 -53.84 10.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.6 mt -46.68 -44.36 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.127 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -71.1 -42.97 68.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.712 ' O ' HG22 ' A' ' 34' ' ' VAL . 57.2 t60 -57.52 -37.08 72.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -58.52 -13.63 6.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.509 ' HA ' HG22 ' A' ' 36' ' ' THR . 21.9 mmt85 -68.6 -29.13 67.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.712 HG22 ' O ' ' A' ' 31' ' ' HIS . 10.2 m -70.55 -18.94 21.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.511 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 97.3 m-70 -97.76 -19.87 17.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.509 HG22 ' HA ' ' A' ' 33' ' ' ARG . 1.4 t -96.65 -18.42 19.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -53.91 -32.97 49.42 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.466 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -100.49 111.51 23.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.922 0.392 . . . . 0.0 110.871 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.5 mttm -77.38 144.03 69.82 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.589 0.709 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -16.48 37.8 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.715 2.277 . . . . 0.0 112.35 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 p -130.54 174.97 9.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -112.57 74.88 0.22 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.471 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 -49.18 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.674 2.25 . . . . 0.0 112.348 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 82.1 p -154.16 -177.86 6.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.865 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.8 t -39.72 123.55 1.57 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.445 -179.961 . . . . . . . . 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 -0.313 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 p -99.67 110.13 22.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 0.0 110.894 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.9 p -83.31 126.11 32.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.85 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.85 -83.1 0.22 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.466 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.3 p -116.44 112.53 21.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.867 0.365 . . . . 0.0 110.846 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.0 m -117.76 42.08 2.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.827 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.75 109.1 0.77 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.46 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 99.7 m -151.36 147.38 26.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.841 0.353 . . . . 0.0 111.158 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.11 122.5 21.11 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.517 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -82.64 7.63 14.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.928 0.394 . . . . 0.0 110.901 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.457 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -75.79 144.05 75.87 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.563 0.696 . . . . 0.0 110.865 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 2.63 3.36 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.318 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.42 ' CZ ' ' OG1' ' A' ' 25' ' ' THR . 60.0 m-85 -139.4 131.99 28.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.859 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -157.96 147.54 19.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.0 t -80.33 120.4 24.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.68 32.56 0.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -125.28 -33.06 2.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.3 p -132.48 -41.66 0.96 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.93 65.93 0.45 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.514 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.35 119.02 20.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.819 0.342 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.457 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -96.84 138.7 33.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.532 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 55.9 m-85 -126.74 129.95 49.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 81.6 p -49.84 -41.14 44.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -110.77 153.61 25.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.42 ' OG1' ' CZ ' ' A' ' 13' ' ' TYR . 18.7 m -65.01 -52.63 54.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.429 HG23 ' N ' ' A' ' 27' ' ' HIS . 9.5 t -47.21 -41.46 18.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.429 ' N ' HG23 ' A' ' 26' ' ' THR . 4.0 m-70 -55.89 -43.65 77.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.79 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.2 tp -66.85 -54.44 22.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.5 mt -46.63 -39.58 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -71.71 -41.21 68.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.716 ' O ' HG22 ' A' ' 34' ' ' VAL . 8.2 t60 -51.13 -35.1 33.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -51.25 -18.14 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.668 ' HA ' HG22 ' A' ' 36' ' ' THR . 69.9 mtt180 -60.23 -42.11 94.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.716 HG22 ' O ' ' A' ' 31' ' ' HIS . 18.0 m -58.12 -19.32 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -94.28 -14.76 25.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.668 HG22 ' HA ' ' A' ' 33' ' ' ARG . 4.8 t -114.48 35.92 4.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.65 29.11 3.31 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.512 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 39' ' ' LYS . 4.2 tp10 -147.21 148.04 31.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.921 0.391 . . . . 0.0 110.881 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.449 ' N ' ' HG3' ' A' ' 38' ' ' GLU . 37.6 mtmt -35.67 144.16 0.24 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.665 0.745 . . . . 0.0 110.834 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -43.61 2.59 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.678 2.252 . . . . 0.0 112.349 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.7 p 42.2 39.17 1.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -160.96 151.72 22.19 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.466 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -46.09 1.37 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.671 2.248 . . . . 0.0 112.363 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.5 p -137.71 164.43 28.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.3 m -154.64 164.37 38.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.458 -179.963 . . . . . . . . 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 1.451 -0.308 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.9 m 42.35 42.27 2.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.874 0.368 . . . . 0.0 110.849 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.1 m -90.33 131.78 35.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.65 121.91 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.492 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.8 p -39.99 125.11 1.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.841 0.353 . . . . 0.0 110.856 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.2 t -125.17 -57.15 1.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.21 177.55 26.86 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.462 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.2 m -117.99 136.99 53.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.822 0.344 . . . . 0.0 111.123 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 79.3 92.27 0.37 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.52 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -111.6 -179.43 3.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.934 0.397 . . . . 0.0 110.889 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.56 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -85.63 143.89 39.12 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.577 0.703 . . . . 0.0 110.919 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -8.02 22.53 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.691 2.261 . . . . 0.0 112.366 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.527 ' CE1' ' HB ' ' A' ' 25' ' ' THR . 36.9 m-85 -128.13 124.24 36.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -144.46 147.71 33.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.7 t -80.93 126.69 31.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.6 mmmt -94.29 26.36 3.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.522 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 4.1 mm-40 -121.27 -34.91 3.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.5 p -129.59 -41.09 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.1 61.02 0.45 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.443 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.5 tttm -131.37 128.55 39.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.796 0.331 . . . . 0.0 110.928 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.56 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -98.7 138.77 35.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.094 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.451 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 3.1 m-85 -120.94 146.67 46.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.6 t -62.48 -40.68 97.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -108.36 151.62 25.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.945 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.527 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 5.5 t -71.0 -39.76 72.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.168 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.3 t -61.08 -31.49 71.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.153 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -65.49 -41.72 92.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.827 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.418 HD13 ' CE1' ' A' ' 22' ' ' PHE . 55.2 tp -68.85 -28.73 66.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.939 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 8.1 mt -70.27 -41.65 78.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -71.51 -34.73 70.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.983 ' O ' HG22 ' A' ' 34' ' ' VAL . 21.5 t60 -68.33 -24.84 64.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.599 ' O ' HG23 ' A' ' 36' ' ' THR . 26.8 mm-40 -62.19 -17.32 57.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -60.72 -27.93 68.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.983 HG22 ' O ' ' A' ' 31' ' ' HIS . 35.7 m -73.44 -9.84 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.522 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 86.8 m-70 -115.75 23.96 11.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.599 HG23 ' O ' ' A' ' 32' ' ' GLN . 22.7 p -128.68 45.48 2.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.98 -146.1 4.54 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.483 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -122.8 95.57 4.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.954 0.407 . . . . 0.0 110.891 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -109.74 154.57 42.43 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.575 0.702 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -5.19 15.63 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.634 2.223 . . . . 0.0 112.358 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.2 t -105.61 148.85 26.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.71 -170.23 34.15 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -174.1 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.667 2.245 . . . . 0.0 112.393 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.9 m -153.5 171.69 18.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.4 t -57.67 163.03 2.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 CA-C-O 119.073 -0.849 . . . . 0.0 112.493 -179.96 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.9 m -144.73 153.98 42.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.876 0.369 . . . . 0.0 110.862 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.7 p -128.38 -46.36 1.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.57 131.92 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.472 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.8 t -122.01 119.14 30.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.861 0.362 . . . . 0.0 110.862 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -164.85 127.42 2.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.2 39.49 3.11 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.512 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.6 p -155.29 156.37 35.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.806 0.336 . . . . 0.0 111.106 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.94 40.83 0.62 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -130.1 27.69 5.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.922 0.391 . . . . 0.0 110.869 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.478 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -123.55 145.99 48.66 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.572 0.701 . . . . 0.0 110.872 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.524 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.8 Cg_endo -69.79 -11.59 31.12 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.686 2.257 . . . . 0.0 112.366 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.524 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 26.4 m-85 -134.71 128.87 33.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.453 ' HG3' ' HB2' ' A' ' 21' ' ' ALA . 18.3 tt0 -148.28 136.75 21.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 50.7 t -69.06 117.81 11.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -88.0 39.39 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -134.35 -39.13 0.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.3 p -124.56 -41.23 2.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.7 60.33 0.4 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.539 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.4 tttp -131.62 123.14 27.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.838 0.352 . . . . 0.0 110.866 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.478 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -99.22 137.41 37.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.446 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 93.0 m-85 -119.63 128.97 54.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.4 p -52.42 -19.25 2.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -128.12 144.91 51.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.488 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 9.4 t -65.09 -43.31 92.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.178 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.453 ' N ' HG23 ' A' ' 25' ' ' THR . 5.2 t -59.06 -35.51 73.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.148 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.432 ' HB3' ' CD2' ' A' ' 22' ' ' PHE . 10.3 m170 -59.17 -38.69 80.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.2 tp -69.7 -38.33 76.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.5 mm -53.69 -47.03 62.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -72.51 -35.08 68.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.677 ' O ' HG22 ' A' ' 34' ' ' VAL . 34.8 t60 -60.41 -42.37 95.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -57.8 -24.1 55.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.408 ' HA ' HG22 ' A' ' 36' ' ' THR . 16.2 mmt85 -56.87 -33.24 66.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.677 HG22 ' O ' ' A' ' 31' ' ' HIS . 4.8 m -64.27 -27.46 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -80.71 -20.67 42.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.706 ' O ' HG23 ' A' ' 36' ' ' THR . 4.3 t -118.17 40.5 3.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -131.88 -39.64 0.23 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.462 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -102.79 132.63 48.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.91 0.386 . . . . 0.0 110.91 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -148.0 153.25 41.69 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.544 0.687 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -4.73 14.64 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.705 2.27 . . . . 0.0 112.337 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.4 m -120.02 -175.2 2.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.18 77.03 0.74 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -32.4 18.77 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.697 2.265 . . . . 0.0 112.348 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.2 p -159.12 177.12 11.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.0 m -72.25 154.91 40.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.846 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.478 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m 61.5 54.36 3.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.862 0.363 . . . . 0.0 110.878 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.2 m 55.69 45.51 24.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.13 135.33 7.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.473 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.5 t -131.45 110.48 11.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.87 0.367 . . . . 0.0 110.827 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.2 p -114.16 175.82 5.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.825 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.7 106.16 1.95 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.488 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.3 m -63.17 -48.52 78.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.792 0.329 . . . . 0.0 111.148 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 141.18 170.61 12.28 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.44 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -126.49 123.34 37.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.912 0.387 . . . . 0.0 110.865 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.51 159.78 83.88 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.586 0.708 . . . . 0.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.583 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.7 0.48 5.53 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.675 2.25 . . . . 0.0 112.375 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.609 ' CE1' HG22 ' A' ' 25' ' ' THR . 24.1 m-85 -137.23 131.01 31.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.953 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -153.7 150.71 28.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.9 t -91.98 102.03 14.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.2 mttm -63.92 -14.67 55.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -67.62 -59.06 3.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.6 p -112.05 -44.23 3.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.65 67.28 0.29 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.536 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 16.8 tttp -135.01 123.02 22.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.779 0.324 . . . . 0.0 110.894 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.27 144.15 28.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.083 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.536 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 46.0 m-85 -133.71 137.58 45.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.0 m -51.33 -47.53 62.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -107.92 155.78 19.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.609 HG22 ' CE1' ' A' ' 13' ' ' TYR . 36.7 p -62.63 -51.7 66.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.6 p -45.41 -48.19 13.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -52.45 -30.27 28.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.6 tp -82.58 -26.07 32.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.963 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.1 mm -72.93 -45.09 56.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.1 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.543 ' CG ' ' N ' ' A' ' 31' ' ' HIS . 9.6 pt20 -58.18 -50.71 72.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.872 ' O ' HG22 ' A' ' 34' ' ' VAL . 18.3 t60 -49.58 -48.34 48.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 31' ' ' HIS . 11.9 mm100 -37.28 -28.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 31' ' ' HIS . 59.0 mtp180 -50.72 -47.83 59.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.819 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.872 HG22 ' O ' ' A' ' 31' ' ' HIS . 24.2 m -54.03 -24.59 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 55.2 m-70 -86.11 -33.09 21.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.465 ' CG2' ' HA ' ' A' ' 33' ' ' ARG . 2.6 t -99.22 69.12 1.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 146.27 60.96 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -96.33 129.56 43.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.911 0.386 . . . . 0.0 110.926 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -113.73 80.86 5.29 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.557 0.694 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -49.33 0.57 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.641 2.228 . . . . 0.0 112.355 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.9 m 48.75 41.95 18.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 44.83 -158.19 0.19 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.462 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 109.12 2.24 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.668 2.246 . . . . 0.0 112.337 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.0 t -111.37 -45.78 3.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.819 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 46' ' ' GLY . 57.9 m -131.25 41.88 3.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 45' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 119.198 -0.779 . . . . 0.0 112.543 -179.976 . . . . . . . . 1 1 . 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 -0.326 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.1 m -103.1 171.32 7.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.89 0.376 . . . . 0.0 110.836 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -159.68 124.78 4.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.2 160.41 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.507 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.5 p -62.12 127.07 29.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.81 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 t -134.49 40.78 2.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 40.43 45.12 3.29 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.527 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 92.9 m -92.75 140.7 29.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.804 0.335 . . . . 0.0 111.156 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 129.9 -159.2 22.55 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.56 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -108.99 6.84 25.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.92 0.391 . . . . 0.0 110.891 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.432 ' HD3' ' C ' ' A' ' 22' ' ' PHE . 38.2 mttt -143.95 143.68 23.8 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.557 0.694 . . . . 0.0 110.922 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -3.78 12.69 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.706 2.271 . . . . 0.0 112.315 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.657 ' CD1' HG22 ' A' ' 25' ' ' THR . 4.3 m-85 -119.11 115.5 24.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.894 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -138.97 146.25 40.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.6 t -79.24 115.02 18.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.01 0.08 37.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -91.47 -41.64 10.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.46 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 20.1 p -127.11 -37.17 2.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.2 69.45 0.64 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.477 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.09 124.52 26.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.818 0.342 . . . . 0.0 110.934 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.99 135.71 35.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.432 ' C ' ' HD3' ' A' ' 11' ' ' LYS . 72.2 m-85 -126.69 142.27 51.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.0 p -61.04 -38.62 86.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -113.09 138.76 49.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.657 HG22 ' CD1' ' A' ' 13' ' ' TYR . 69.1 p -56.09 -44.38 78.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.405 ' HA ' HD12 ' A' ' 29' ' ' ILE . 10.3 p -48.88 -58.37 4.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -44.14 -46.7 8.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.9 tp -58.23 -50.01 75.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.405 HD12 ' HA ' ' A' ' 26' ' ' THR . 23.8 mt -59.09 -45.42 92.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -63.31 -24.94 68.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.598 ' O ' HG22 ' A' ' 34' ' ' VAL . 37.2 t60 -78.25 -30.12 48.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.797 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -62.2 -10.91 12.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.455 ' HA ' HG22 ' A' ' 36' ' ' THR . 98.4 mtt180 -67.58 -27.58 67.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.598 HG22 ' O ' ' A' ' 31' ' ' HIS . 5.3 m -78.14 -19.19 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.46 ' CE1' ' HB3' ' A' ' 18' ' ' CYS . 44.0 m-70 -90.21 -18.63 25.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.455 HG22 ' HA ' ' A' ' 33' ' ' ARG . 15.3 t -105.24 -26.88 11.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -105.19 52.85 0.69 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -119.02 145.49 45.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.899 0.381 . . . . 0.0 110.929 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.61 152.48 72.04 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.576 0.703 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 82.8 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.697 2.265 . . . . 0.0 112.351 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.9 m -113.27 -73.64 0.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.62 -159.38 25.34 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.499 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -20.74 34.43 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.67 2.247 . . . . 0.0 112.328 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.4 t -52.95 127.43 23.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.7 t -82.14 171.0 14.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.833 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 CA-C-O 119.171 -0.794 . . . . 0.0 112.501 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -116.12 154.73 29.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.825 0.345 . . . . 0.0 110.851 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.5 p -42.28 151.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.851 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.19 -136.36 8.12 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.448 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 m -62.39 153.52 30.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.823 0.344 . . . . 0.0 110.882 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 m -83.65 90.11 7.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.32 -42.17 63.56 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.522 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.3 p -102.17 134.07 46.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.803 0.335 . . . . 0.0 111.145 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.7 91.11 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.482 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -46.65 162.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.903 0.383 . . . . 0.0 110.85 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -116.61 156.1 48.05 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.567 0.698 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -0.38 6.88 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.676 2.251 . . . . 0.0 112.348 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -115.08 113.38 23.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -148.56 133.93 18.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.2 t -64.29 125.25 23.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -93.91 28.97 2.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -121.61 -38.17 2.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.2 p -128.53 -40.93 1.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.9 84.97 1.4 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.493 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.4 tttt -154.82 125.75 7.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.804 0.335 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.81 148.98 21.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -134.85 130.77 36.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.1 t -48.39 -46.17 36.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -107.5 158.39 17.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 85.6 m -72.71 -44.01 62.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 t -55.67 -28.29 54.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.156 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -71.26 -39.52 71.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.9 tp -68.02 -44.1 77.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 69.9 mt -58.9 -47.24 90.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.16 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.486 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 70.9 mm-40 -58.43 -41.34 84.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -61.58 -47.23 86.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -41.57 -27.72 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.486 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 32.1 mmt180 -42.37 -45.96 4.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.409 HG23 ' N ' ' A' ' 35' ' ' HIS . 8.2 m -49.73 -39.31 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.409 ' N ' HG23 ' A' ' 34' ' ' VAL . 37.3 m-70 -86.54 -33.68 20.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.48 76.31 1.7 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.42 -130.79 2.42 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.475 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -81.72 47.51 1.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.952 0.406 . . . . 0.0 110.859 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.93 144.85 44.05 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.611 0.72 . . . . 0.0 110.894 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 140.22 42.04 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.698 2.265 . . . . 0.0 112.316 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.4 m -112.87 79.5 1.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.84 146.08 17.15 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -50.51 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.702 2.268 . . . . 0.0 112.317 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.0 p -167.62 158.49 11.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.805 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.5 m -103.99 105.04 15.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.818 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.112 -0.826 . . . . 0.0 112.5 179.992 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -154.14 141.58 19.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 110.838 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.6 p -124.12 -6.98 7.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.864 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.96 120.98 4.27 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.521 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.0 t -77.99 104.82 8.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.84 0.352 . . . . 0.0 110.904 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.1 m -69.81 -48.96 57.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.855 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.32 59.65 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.492 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.8 m -106.41 43.25 1.16 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.834 0.35 . . . . 0.0 111.111 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.43 102.93 2.08 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.497 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -103.89 151.44 23.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.96 0.409 . . . . 0.0 110.863 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.442 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 0.5 OUTLIER -81.35 144.2 53.25 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.587 0.708 . . . . 0.0 110.904 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -3.22 11.57 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 2.242 . . . . 0.0 112.375 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -123.19 116.39 23.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.953 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -149.31 158.41 44.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 39.0 t -94.67 111.41 23.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.834 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.1 mtpt -71.23 -19.02 62.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -65.65 -53.07 46.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.4 p -112.18 -45.12 3.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.66 69.79 0.52 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.527 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.3 tttp -138.77 124.13 19.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.834 0.349 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.442 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -96.34 141.12 30.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -124.59 145.95 49.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.8 t -58.61 -45.37 89.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -113.37 141.25 47.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.94 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.1 m -53.39 -46.51 69.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.9 p -45.58 -40.2 8.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.177 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 43.4 m170 -61.79 -40.68 96.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.1 tp -71.07 -55.82 7.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 94.6 mt -42.93 -49.37 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.102 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -64.07 -43.01 96.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.98 ' O ' HG22 ' A' ' 34' ' ' VAL . 22.3 t60 -60.47 -41.28 93.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -48.36 -27.71 2.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -53.7 -38.29 64.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.98 HG22 ' O ' ' A' ' 31' ' ' HIS . 32.8 m -61.27 -11.2 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -116.12 21.13 13.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 39.3 p -108.54 -44.55 4.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.133 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.38 148.48 3.24 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -82.55 139.32 33.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.874 0.369 . . . . 0.0 110.892 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.9 mtpt -164.43 159.72 15.89 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.582 0.706 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -3.29 11.71 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.644 2.229 . . . . 0.0 112.384 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t -63.66 118.71 8.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.21 73.28 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.465 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -49.54 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.677 2.252 . . . . 0.0 112.331 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 t -165.34 162.22 19.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.836 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 80.9 p -122.28 -11.52 8.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.508 -179.992 . . . . . . . . 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 -0.311 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.1 p -92.5 100.8 13.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.922 0.391 . . . . 0.0 110.861 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -54.32 134.86 45.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.86 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.02 103.6 0.56 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.443 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.7 t -149.3 150.35 32.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 0.0 110.848 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.4 m -85.34 106.38 16.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.36 -52.59 3.93 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.544 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.7 t -38.8 129.15 1.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.849 0.357 . . . . 0.0 111.157 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 137.51 -68.11 0.52 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.475 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -106.4 112.86 26.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.931 0.396 . . . . 0.0 110.904 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.475 ' HE3' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -46.03 159.7 0.32 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.622 0.725 . . . . 0.0 110.883 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -0.04 6.32 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.692 2.261 . . . . 0.0 112.348 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.569 ' CD1' HG22 ' A' ' 25' ' ' THR . 5.6 m-85 -109.86 111.53 23.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -138.83 156.82 47.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 19' ' ' GLY . 8.5 t -93.15 78.67 4.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.414 ' C ' ' HD2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -43.23 -24.11 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' ' 15' ' ' CYS . 44.1 mm-40 -62.33 -52.54 63.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.828 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.3 p -112.05 -43.69 3.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 114.71 64.24 0.41 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.9 tttp -137.83 128.39 26.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.763 0.316 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.19 142.24 30.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.048 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.405 ' CE1' HD13 ' A' ' 28' ' ' LEU . 26.4 m-85 -122.39 154.18 38.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 87.9 p -73.95 -20.27 60.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.859 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -134.65 138.06 44.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.569 HG22 ' CD1' ' A' ' 13' ' ' TYR . 59.4 p -52.54 -51.48 59.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.147 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.5 p -50.0 -44.75 51.26 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.524 ' HA ' ' NE2' ' A' ' 30' ' ' GLN . 1.5 t-80 -60.39 -30.95 69.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.864 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.405 HD13 ' CE1' ' A' ' 22' ' ' PHE . 15.4 tp -76.76 -30.17 56.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.936 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.3 mt -74.9 -42.59 46.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.088 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.524 ' NE2' ' HA ' ' A' ' 27' ' ' HIS . 5.9 pt20 -54.77 -46.58 74.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.64 ' O ' HG22 ' A' ' 34' ' ' VAL . 24.3 t60 -58.6 -48.74 79.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.814 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 -40.22 -25.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 31' ' ' HIS . 12.4 mmm180 -52.6 -46.34 66.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.64 HG22 ' O ' ' A' ' 31' ' ' HIS . 22.5 m -57.41 -28.6 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 56.9 m-70 -78.5 -27.14 46.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.614 ' O ' HG23 ' A' ' 36' ' ' THR . 8.3 t -118.71 80.36 1.53 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.08 -33.63 1.23 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.476 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -123.06 15.45 9.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.92 0.391 . . . . 0.0 110.904 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.6 mmtm -67.76 155.33 91.75 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.569 0.7 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 41' ' ' SER . 53.8 Cg_endo -69.79 2.75 3.26 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.685 2.257 . . . . 0.0 112.339 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 40' ' ' PRO . 1.4 t -34.55 127.35 0.47 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -73.75 171.88 51.54 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.515 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.5 Cg_endo -69.8 2.21 3.76 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.686 2.258 . . . . 0.0 112.341 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 43' ' ' PRO . 23.7 t -34.57 -62.16 0.36 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.84 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.9 t -87.12 -65.76 0.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.84 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.451 179.997 . . . . . . . . 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 -0.33 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.1 p -76.65 167.39 21.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.911 0.386 . . . . 0.0 110.845 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.7 p -142.09 139.9 32.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.41 100.37 0.52 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.476 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.6 m -79.83 92.12 5.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.904 0.383 . . . . 0.0 110.874 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 t -108.61 102.44 11.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.31 124.33 2.85 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.4 m 52.55 44.7 29.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.854 0.359 . . . . 0.0 111.171 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -135.54 -173.99 13.23 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.513 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.1 pm0 -54.7 135.59 46.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.889 0.376 . . . . 0.0 110.926 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.655 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 2.6 mptt -79.77 147.84 67.63 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.588 0.709 . . . . 0.0 110.897 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -7.71 21.75 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.681 2.254 . . . . 0.0 112.359 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.555 ' CE1' ' HB ' ' A' ' 25' ' ' THR . 8.6 m-85 -123.95 108.21 12.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -137.33 139.49 40.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.5 t -67.15 123.12 19.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -91.19 31.87 1.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -126.55 -38.2 2.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.1 p -124.55 -42.45 2.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.51 65.76 0.46 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.499 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.1 tttp -135.75 122.71 21.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.826 0.346 . . . . 0.0 110.849 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.655 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -99.67 137.65 37.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.104 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -124.54 132.43 53.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.8 p -43.17 -49.39 6.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.552 ' HB3' HG22 ' A' ' 26' ' ' THR . 46.0 mt-30 -101.52 132.52 47.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.555 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 5.5 t -56.68 -37.91 71.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.552 HG22 ' HB3' ' A' ' 24' ' ' GLN . 4.6 t -55.96 -36.13 67.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.101 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.0 m80 -60.77 -39.85 90.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.848 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.1 tp -68.86 -32.64 72.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.7 mm -57.25 -46.85 85.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.145 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.1 mm100 -70.52 -41.31 72.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.769 ' O ' HG22 ' A' ' 34' ' ' VAL . 31.8 t60 -57.85 -44.66 86.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.846 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -45.01 -30.02 0.95 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.9 mmm-85 -52.76 -39.43 62.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.769 HG22 ' O ' ' A' ' 31' ' ' HIS . 14.4 m -57.45 -14.86 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.164 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.539 ' CD2' HG23 ' A' ' 34' ' ' VAL . 78.6 m-70 -118.94 -25.82 6.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 47.2 p -101.37 89.99 3.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.31 -33.91 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.488 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.6 tp10 -43.73 144.29 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.93 0.395 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.437 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 6.1 tttp 68.78 54.79 0.57 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.604 0.716 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.437 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.3 Cg_endo -69.75 96.49 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.667 2.245 . . . . 0.0 112.364 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.1 t -146.19 158.86 43.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 136.27 -165.37 24.96 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.52 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.45 ' O ' ' C ' ' A' ' 44' ' ' SER . 54.1 Cg_endo -69.76 2.57 3.41 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.712 2.275 . . . . 0.0 112.299 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 43' ' ' PRO . 31.0 m -34.54 138.26 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 44' ' ' SER . 48.8 m -36.42 149.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.438 -179.951 . . . . . . . . 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 -0.348 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.9 m 52.03 47.31 25.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.888 0.375 . . . . 0.0 110.838 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.5 m -122.6 172.75 8.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.4 149.77 6.08 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.51 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 t -144.03 154.32 43.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.901 0.381 . . . . 0.0 110.84 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.7 m -150.98 163.89 37.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.843 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.62 -53.85 0.45 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.45 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.6 p -96.26 95.81 8.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.359 . . . . 0.0 111.162 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.35 -175.36 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.516 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -129.39 174.97 9.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.904 0.383 . . . . 0.0 110.908 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.7 mtmm -66.65 143.92 98.36 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.616 0.722 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 0.17 6.0 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.704 2.27 . . . . 0.0 112.357 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.461 ' HB3' HD22 ' A' ' 28' ' ' LEU . 14.6 m-85 -120.75 120.08 34.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -150.59 135.38 17.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.1 t -69.23 118.46 12.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -87.52 30.49 0.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -123.05 -40.2 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.0 p -127.03 -40.48 1.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.92 71.62 0.52 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.1 ttmt -138.33 124.34 20.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.829 0.347 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.25 143.15 30.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.123 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.457 ' CD2' ' HB3' ' A' ' 27' ' ' HIS . 95.0 m-85 -131.37 135.92 47.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.4 m -57.33 -38.68 74.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -106.51 174.64 5.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.4 p -87.25 -41.49 13.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.183 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.418 ' H ' HG22 ' A' ' 26' ' ' THR . 0.8 OUTLIER -60.76 -31.05 70.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.457 ' HB3' ' CD2' ' A' ' 22' ' ' PHE . 15.6 m80 -70.86 -26.39 63.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.461 HD22 ' HB3' ' A' ' 13' ' ' TYR . 16.9 tp -85.88 -47.09 9.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 78.3 mt -59.19 -40.99 82.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.542 ' CG ' ' N ' ' A' ' 31' ' ' HIS . 4.2 pt20 -60.58 -50.65 72.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.563 ' O ' HG22 ' A' ' 34' ' ' VAL . 6.1 t60 -60.84 -40.83 94.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -45.53 -25.99 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -52.25 -41.75 63.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.563 HG22 ' O ' ' A' ' 31' ' ' HIS . 11.1 m -56.48 -14.8 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -111.31 24.12 13.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.4 p -120.13 -46.15 2.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -80.58 -84.65 0.68 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -63.56 158.24 21.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.907 0.384 . . . . 0.0 110.915 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -111.14 80.65 2.47 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.563 0.697 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 176.32 6.94 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.655 2.236 . . . . 0.0 112.32 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.2 t -130.19 151.26 50.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -179.38 178.39 48.68 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -38.34 7.98 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.698 2.266 . . . . 0.0 112.383 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.1 t -46.64 131.46 11.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 74.8 p -106.15 -43.4 4.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.841 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.485 -179.982 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.5 p -96.42 117.95 31.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.886 0.374 . . . . 0.0 110.84 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.7 m -129.91 82.01 2.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.53 133.99 7.74 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.461 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.9 m -111.26 145.62 38.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 0.0 110.866 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.8 t -120.67 123.37 42.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.828 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.16 108.72 1.88 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.535 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 56.6 m -76.87 -61.39 1.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.874 0.369 . . . . 0.0 111.142 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 56.71 88.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.5 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -89.7 84.56 6.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.897 0.38 . . . . 0.0 110.869 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.6 mmtt -146.73 149.19 35.74 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.618 0.723 . . . . 0.0 110.928 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 1.26 4.64 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.716 2.277 . . . . 0.0 112.321 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -120.7 116.38 25.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -144.54 157.16 44.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 19' ' ' GLY . 35.2 t -98.93 106.55 18.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -62.64 -25.83 68.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -56.11 -58.79 6.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.4 p -110.31 -40.18 4.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 109.39 63.8 0.54 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.479 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.2 tttm -131.06 128.66 40.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.789 0.328 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.18 139.84 34.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -124.05 137.15 54.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.844 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.5 m -58.04 -42.71 85.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.849 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -97.66 167.38 10.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 39.7 p -86.63 -47.8 8.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.156 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.7 t -57.12 -24.63 55.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -68.58 -41.49 79.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.7 tp -67.01 -50.95 60.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 59.9 mt -52.93 -44.68 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -67.62 -38.71 84.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.522 ' O ' HG22 ' A' ' 34' ' ' VAL . 10.4 t60 -60.68 -51.33 69.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.823 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -39.4 -29.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 31' ' ' HIS . 10.4 mmm180 -49.89 -46.61 51.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.522 HG22 ' O ' ' A' ' 31' ' ' HIS . 16.9 m -47.91 -25.87 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -92.56 -30.11 15.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.3 t -114.53 43.91 1.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.15 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 170.92 63.95 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.5 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -78.01 6.43 7.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.968 0.413 . . . . 0.0 110.919 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.476 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 59.0 tttm -115.58 139.4 24.69 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.624 0.726 . . . . 0.0 110.898 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.476 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 54.0 Cg_endo -69.74 177.85 5.15 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.687 2.258 . . . . 0.0 112.383 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.8 m -69.98 170.68 10.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.833 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.2 146.29 34.5 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.6 Cg_endo -69.76 2.21 3.74 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.644 2.229 . . . . 0.0 112.386 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 43' ' ' PRO . 22.5 p -35.48 124.1 0.65 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.3 t -85.3 -45.57 11.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.172 -0.793 . . . . 0.0 112.482 -179.943 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.1 m 62.94 42.38 7.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.887 0.375 . . . . 0.0 110.847 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 m -119.74 176.14 5.54 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.819 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.72 65.2 1.0 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.478 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.1 t -100.56 44.4 1.02 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.904 0.383 . . . . 0.0 110.834 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.9 p -56.86 112.38 1.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.18 113.99 0.64 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.459 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.39 80.02 2.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.879 0.371 . . . . 0.0 111.179 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 172.37 -91.88 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.451 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 66.53 36.46 4.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.913 0.387 . . . . 0.0 110.927 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.566 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 21.9 mmtt -95.86 150.18 37.01 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.56 0.695 . . . . 0.0 110.927 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -2.98 11.1 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.645 2.23 . . . . 0.0 112.355 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.402 ' CE1' ' HB ' ' A' ' 25' ' ' THR . 22.2 m-85 -126.84 112.42 15.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.945 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.523 ' O ' HD21 ' A' ' 28' ' ' LEU . 10.9 tt0 -136.17 159.29 42.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.0 t -97.51 119.67 36.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.3 mmtt -85.64 29.79 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -122.91 -33.31 3.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.6 p -129.86 -44.24 1.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.53 58.81 0.37 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -129.88 133.34 46.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.566 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -101.88 137.65 39.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.123 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -123.17 129.16 51.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 91.6 p -51.33 -40.35 58.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -104.27 146.33 28.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.433 HG23 ' N ' ' A' ' 26' ' ' THR . 7.4 t -66.2 -43.54 86.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.433 ' N ' HG23 ' A' ' 25' ' ' THR . 2.8 t -60.14 -27.46 67.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.136 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -67.26 -41.65 85.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.843 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.523 HD21 ' O ' ' A' ' 14' ' ' GLU . 43.8 tp -66.39 -52.06 50.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.1 mt -56.37 -45.5 81.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.489 ' HA ' ' CD ' ' A' ' 33' ' ' ARG . 45.0 mm-40 -62.54 -26.09 68.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.595 ' O ' HG13 ' A' ' 34' ' ' VAL . 9.2 t60 -81.07 -36.89 29.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -52.25 -20.92 2.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.636 ' O ' HG22 ' A' ' 36' ' ' THR . 1.4 mpt_? -59.1 -35.29 73.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.595 HG13 ' O ' ' A' ' 31' ' ' HIS . 2.3 m -59.95 -23.35 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.131 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -90.27 23.48 2.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.636 HG22 ' O ' ' A' ' 33' ' ' ARG . 9.0 t -86.58 37.41 0.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.82 -115.18 5.01 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 40.72 38.4 0.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.912 0.387 . . . . 0.0 110.874 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -100.2 153.68 37.63 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.529 0.681 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 112.12 3.0 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.659 2.239 . . . . 0.0 112.348 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.4 p -45.56 126.95 7.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.65 -95.06 0.1 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.514 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -42.18 3.67 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.723 2.282 . . . . 0.0 112.324 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.2 p -105.84 147.43 28.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.9 p -171.63 174.7 4.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 CA-C-O 119.088 -0.84 . . . . 0.0 112.522 -179.959 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 t -71.5 114.86 10.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.866 0.365 . . . . 0.0 110.821 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -142.35 112.67 7.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.01 136.15 4.67 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.456 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -148.0 135.94 21.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.94 0.4 . . . . 0.0 110.855 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.1 p -65.98 120.49 13.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.861 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.67 171.43 20.41 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.521 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.6 t -125.37 139.2 53.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.893 0.377 . . . . 0.0 111.112 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.5 175.88 28.56 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.438 ' C ' ' HE3' ' A' ' 11' ' ' LYS . 13.1 pt-20 -128.78 137.74 51.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.966 0.412 . . . . 0.0 110.859 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.444 ' HE3' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -85.52 154.39 59.23 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.599 0.714 . . . . 0.0 110.921 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 0.86 5.0 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.703 2.268 . . . . 0.0 112.376 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.549 ' CE1' ' HB ' ' A' ' 25' ' ' THR . 45.9 m-85 -135.92 127.81 29.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -157.13 131.84 8.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.5 t -62.45 118.34 7.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.87 40.2 0.89 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -133.31 -43.65 0.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.6 p -120.05 -40.15 2.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.51 65.71 0.46 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.482 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt -131.48 119.59 21.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.801 0.334 . . . . 0.0 110.918 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.85 134.74 42.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -120.33 153.63 36.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.6 t -60.49 -46.54 89.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -111.62 168.78 9.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.549 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 10.2 t -77.18 -41.74 40.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.171 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.675 ' HA ' HD12 ' A' ' 29' ' ' ILE . 5.9 t -54.87 -32.76 61.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 46.7 m170 -62.95 -44.98 94.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.6 tp -63.37 -43.42 97.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.675 HD12 ' HA ' ' A' ' 26' ' ' THR . 71.3 mt -52.0 -49.96 36.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -63.24 -40.72 98.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 33' ' ' ARG . 21.0 t60 -57.95 -45.81 86.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -42.57 -23.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 31' ' ' HIS . 82.6 mtt180 -52.05 -40.96 61.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.488 HG23 ' CE1' ' A' ' 35' ' ' HIS . 14.0 m -57.2 -16.82 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.488 ' CE1' HG23 ' A' ' 34' ' ' VAL . 48.5 m-70 -111.33 -32.76 6.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 38.0 p -40.43 -50.42 2.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.06 101.61 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.459 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 39' ' ' LYS . 26.4 tp10 -73.41 152.88 40.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.913 0.387 . . . . 0.0 110.874 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.432 ' N ' ' HG3' ' A' ' 38' ' ' GLU . 38.7 pttt -142.94 153.2 60.41 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.549 0.69 . . . . 0.0 110.908 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 0.84 5.04 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.652 2.235 . . . . 0.0 112.362 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.9 t -55.62 166.54 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.44 80.4 1.18 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.508 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -22.98 31.43 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.362 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.9 t -132.01 85.06 2.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 44.6 t 43.11 41.56 2.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.817 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 CA-C-O 119.094 -0.837 . . . . 0.0 112.514 -179.986 . . . . . . . . 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 -0.311 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.9 m -87.43 94.4 9.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.842 0.353 . . . . 0.0 110.905 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.0 t -89.05 -60.92 1.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.41 116.36 0.42 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.9 p -117.47 106.36 13.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.945 0.403 . . . . 0.0 110.867 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.3 m -83.9 156.74 22.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.853 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.67 -57.17 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.455 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 59.7 m -44.01 -53.04 6.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.354 . . . . 0.0 111.129 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.19 -131.46 10.66 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -169.1 174.87 6.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.91 0.386 . . . . 0.0 110.884 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.3 mmtp -76.17 151.27 83.65 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.591 0.71 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -4.81 14.8 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.72 2.28 . . . . 0.0 112.317 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.413 ' CE1' ' HB ' ' A' ' 25' ' ' THR . 26.6 m-85 -115.22 113.66 24.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -141.66 151.03 42.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 19' ' ' GLY . 5.2 t -87.93 89.73 8.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.867 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -55.21 -16.35 3.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -72.38 -52.6 15.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.3 p -111.85 -44.19 3.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 115.93 61.37 0.35 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.482 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.3 tttp -130.49 124.74 32.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.804 0.335 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.66 137.8 33.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -126.8 142.86 51.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.8 t -52.04 -46.57 65.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -113.11 160.44 18.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.413 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 9.8 t -69.4 -38.19 77.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.3 p -58.8 -33.89 70.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.421 ' HA ' ' CD ' ' A' ' 30' ' ' GLN . 18.0 m-70 -70.22 -21.87 62.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.4 tp -87.95 -44.21 11.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.952 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.6 mt -62.14 -38.27 80.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.471 ' HG3' ' N ' ' A' ' 31' ' ' HIS . 14.3 pt20 -59.85 -52.2 66.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.79 ' O ' HG22 ' A' ' 34' ' ' VAL . 12.8 t60 -60.35 -39.54 87.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -47.97 -20.55 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -57.66 -37.82 74.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.79 HG22 ' O ' ' A' ' 31' ' ' HIS . 28.4 m -66.01 -13.05 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -94.66 -25.54 16.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.694 ' O ' HG23 ' A' ' 36' ' ' THR . 8.8 t -125.7 83.97 2.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.114 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -164.8 -87.79 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -112.04 68.08 0.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.371 . . . . 0.0 110.854 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -146.22 138.2 13.43 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.553 0.692 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 97.15 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.655 2.237 . . . . 0.0 112.369 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.5 t -127.72 49.75 2.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.15 163.01 37.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -177.28 1.79 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.668 2.245 . . . . 0.0 112.393 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 54.9 p 41.7 45.71 3.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.6 t -44.24 -49.03 9.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.121 -0.822 . . . . 0.0 112.486 -179.994 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.9 t -107.84 153.72 22.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.868 0.366 . . . . 0.0 110.875 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.1 t -81.95 110.61 17.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.45 39.79 5.24 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.521 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.7 p -65.22 142.29 58.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.87 0.367 . . . . 0.0 110.867 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.4 p -135.96 144.05 45.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 8' ' ' THR . . . 124.72 -147.23 16.46 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.419 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 7' ' ' GLY . 74.8 p -36.44 115.33 0.35 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.857 0.361 . . . . 0.0 111.161 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.48 -154.13 11.65 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -151.8 123.74 8.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.945 0.402 . . . . 0.0 110.853 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -45.65 143.98 2.79 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.587 0.708 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.562 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.72 -3.02 11.14 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.694 2.263 . . . . 0.0 112.342 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.562 ' CE2' ' HG2' ' A' ' 12' ' ' PRO . 9.5 m-85 -131.47 126.01 33.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.917 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -151.24 145.17 25.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.2 t -79.12 113.3 17.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.5 tttt -83.26 36.88 0.53 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -126.69 -40.09 1.94 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.6 p -130.21 -39.23 1.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.86 73.44 0.53 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.443 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.4 tttt -141.91 130.32 22.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.822 0.344 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.45 144.34 27.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -132.59 128.8 37.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.3 t -56.42 -38.23 71.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -111.27 148.69 32.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.3 m -60.97 -50.95 71.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.457 HG23 ' N ' ' A' ' 27' ' ' HIS . 9.9 t -52.76 -43.53 65.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.105 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.457 ' N ' HG23 ' A' ' 26' ' ' THR . 9.8 m80 -58.05 -28.16 64.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.5 tp -79.04 -36.99 40.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 51.8 mt -68.17 -41.63 84.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.144 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.44 ' NE2' ' HA ' ' A' ' 27' ' ' HIS . 12.4 pt20 -57.12 -46.98 82.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.916 ' O ' HG22 ' A' ' 34' ' ' VAL . 11.9 t60 -58.86 -38.69 79.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.447 ' O ' HG23 ' A' ' 36' ' ' THR . 32.6 mm-40 -50.43 -23.7 2.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.408 ' HE ' HG21 ' A' ' 36' ' ' THR . 16.1 mmp_? -56.43 -29.42 61.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.916 HG22 ' O ' ' A' ' 31' ' ' HIS . 33.2 m -71.95 -8.76 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -109.61 -18.83 13.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 32' ' ' GLN . 24.9 p -72.99 -54.23 9.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.57 71.35 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.52 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -95.94 57.5 1.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.89 0.376 . . . . 0.0 110.894 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -124.63 147.0 54.43 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.624 0.726 . . . . 0.0 110.848 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 2.4 3.57 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.682 2.255 . . . . 0.0 112.353 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.0 m -163.97 162.12 23.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 130.66 146.31 5.88 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.472 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 109.63 2.35 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.717 2.278 . . . . 0.0 112.342 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.5 m -138.69 166.07 25.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.861 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.4 m -54.36 -61.66 2.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.803 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.079 -0.845 . . . . 0.0 112.494 -179.955 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.7 m 44.08 43.04 5.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.888 0.375 . . . . 0.0 110.906 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 t -86.96 72.2 10.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.893 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.63 107.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.505 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 t -69.05 151.24 46.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.871 0.367 . . . . 0.0 110.856 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -117.03 142.14 47.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.62 92.54 0.53 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.475 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.9 t -97.15 -38.77 9.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.815 0.341 . . . . 0.0 111.125 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.99 106.04 2.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.25 173.91 1.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.901 0.381 . . . . 0.0 110.883 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.427 ' NZ ' ' HB3' ' A' ' 23' ' ' SER . 7.9 mmmm -134.21 156.08 79.38 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.569 0.699 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.4 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.8 0.37 5.77 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.656 2.237 . . . . 0.0 112.318 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.4 ' CE2' ' HG2' ' A' ' 12' ' ' PRO . 26.2 m-85 -141.44 112.58 7.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.48 ' CG ' ' O ' ' A' ' 20' ' ' LYS . 18.5 tt0 -140.44 132.59 28.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.6 t -63.07 118.96 8.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -84.3 27.09 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -115.53 -34.96 4.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.9 p -130.54 -46.84 1.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.48 26.38 0.88 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.429 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.48 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 5.4 tptp -86.57 159.85 19.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.769 0.318 . . . . 0.0 110.934 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.44 141.75 50.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.118 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.479 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 18.9 m-85 -139.29 126.1 20.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.427 ' HB3' ' NZ ' ' A' ' 11' ' ' LYS . 53.6 p -58.68 -34.65 71.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.419 ' HB2' ' ND1' ' A' ' 27' ' ' HIS . 14.2 mm100 -104.74 150.41 24.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.8 p -65.93 -54.49 25.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.0 t -50.46 -32.79 18.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.419 ' ND1' ' HB2' ' A' ' 24' ' ' GLN . 31.7 m170 -68.42 -27.67 66.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.485 ' O ' HD12 ' A' ' 28' ' ' LEU . 13.1 tp -81.73 -28.96 33.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.9 mt -75.76 -41.5 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.489 ' HG3' ' N ' ' A' ' 31' ' ' HIS . 2.4 pt20 -58.9 -47.87 83.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.748 ' O ' HG22 ' A' ' 34' ' ' VAL . 8.1 t60 -65.4 -38.47 90.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.821 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -50.76 -25.45 4.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 50.2 mtp85 -55.47 -27.79 50.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.748 HG22 ' O ' ' A' ' 31' ' ' HIS . 18.1 m -68.35 -17.46 22.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.171 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.506 ' CD2' HG23 ' A' ' 34' ' ' VAL . 47.0 m-70 -115.51 -20.57 10.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.0 p -104.21 56.42 0.72 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -88.33 142.17 17.21 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.527 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -110.83 130.13 55.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.913 0.387 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.4 mttt -100.68 143.78 27.23 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.62 0.724 . . . . 0.0 110.823 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -8.68 24.21 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.698 2.266 . . . . 0.0 112.363 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.1 t -74.34 140.58 44.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -90.78 -81.66 1.4 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 134.92 29.16 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.647 2.231 . . . . 0.0 112.35 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.2 t -138.47 133.52 32.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.807 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 97.0 p -155.05 173.54 16.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.846 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.157 -0.801 . . . . 0.0 112.496 -179.954 . . . . . . . . 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 -0.352 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.1 m -70.49 108.4 4.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.901 0.381 . . . . 0.0 110.852 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.1 t -93.78 147.54 22.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.851 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.89 161.91 12.6 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.479 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.8 t -131.2 112.72 13.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.895 0.379 . . . . 0.0 110.878 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 t -130.85 109.38 10.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.887 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.16 93.83 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.482 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 54.4 p -135.91 139.89 43.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.855 0.359 . . . . 0.0 111.13 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.99 67.57 0.74 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.555 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.406 ' CD ' ' H ' ' A' ' 10' ' ' GLU . 3.4 mp0 -94.3 1.92 55.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.902 0.382 . . . . 0.0 110.875 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.51 145.98 95.79 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.584 0.707 . . . . 0.0 110.928 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 2.68 3.31 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.726 2.284 . . . . 0.0 112.325 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.453 ' CE1' ' HB ' ' A' ' 25' ' ' THR . 36.0 m-85 -123.94 121.92 36.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -151.01 140.31 21.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.1 t -78.64 80.72 5.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.6 mtpt -46.71 -20.69 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -60.51 -59.24 5.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.4 p -112.74 -39.07 4.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.03 72.98 0.44 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.507 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.541 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 0.7 OUTLIER -138.47 116.79 11.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.761 0.315 . . . . 0.0 110.895 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.13 133.22 37.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.089 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.569 ' CD1' ' HB3' ' A' ' 27' ' ' HIS . 97.7 m-85 -124.25 149.78 46.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.8 t -63.16 -40.78 98.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -113.95 142.25 46.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.453 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 9.9 t -52.18 -41.38 62.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.148 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.423 ' N ' HG23 ' A' ' 25' ' ' THR . 7.5 t -56.59 -41.64 77.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.569 ' HB3' ' CD1' ' A' ' 22' ' ' PHE . 6.6 m-70 -59.57 -21.8 60.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.878 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.4 tp -87.56 -46.64 9.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 73.3 mt -62.32 -36.55 75.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.493 ' CD ' ' N ' ' A' ' 31' ' ' HIS . 1.6 pp0? -61.99 -51.32 68.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.981 ' O ' HG22 ' A' ' 34' ' ' VAL . 7.1 t60 -58.62 -41.34 85.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -42.89 -25.33 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -56.29 -42.96 78.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.981 HG22 ' O ' ' A' ' 31' ' ' HIS . 26.2 m -52.29 -21.82 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -89.36 -33.2 16.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.9 t -109.28 39.13 2.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.167 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -72.9 156.99 52.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.51 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -90.65 49.64 1.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.949 0.404 . . . . 0.0 110.918 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -108.5 72.86 0.45 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.561 0.696 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 124.81 11.47 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.709 2.273 . . . . 0.0 112.333 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.7 m -115.05 144.97 42.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 136.44 83.05 0.13 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.467 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -8.8 24.52 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.694 2.263 . . . . 0.0 112.345 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.6 m -48.06 -50.9 26.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.8 p -112.12 -45.65 3.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.496 180.0 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.6 m -97.08 -61.89 1.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.938 0.399 . . . . 0.0 110.831 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.2 p -69.81 119.35 13.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.861 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.68 115.77 1.32 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 m -75.6 -43.89 45.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.85 0.357 . . . . 0.0 110.847 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t 64.02 42.14 5.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.882 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.97 66.25 0.27 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.9 p -114.24 -47.33 2.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.821 0.343 . . . . 0.0 111.139 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 126.1 145.45 6.39 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.481 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -76.33 116.16 16.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.882 0.372 . . . . 0.0 110.887 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.408 ' HA ' ' HD2' ' A' ' 12' ' ' PRO . 6.2 mtmp? -133.0 88.08 38.0 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.535 0.683 . . . . 0.0 110.93 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 11' ' ' LYS . 54.0 Cg_endo -69.77 2.52 3.46 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.657 2.238 . . . . 0.0 112.347 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.593 ' CE1' HG22 ' A' ' 25' ' ' THR . 22.9 m-85 -113.41 112.33 23.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -138.88 156.54 47.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.9 t -83.81 122.67 28.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.1 mttt -87.85 34.59 0.72 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -127.42 -38.02 1.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.2 p -126.75 -41.83 1.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.75 67.25 0.47 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.9 tttt -132.86 122.62 24.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.772 0.32 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.91 139.35 31.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -128.82 146.19 50.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.7 p -86.06 -2.39 58.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -127.76 116.41 20.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.94 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.593 HG22 ' CE1' ' A' ' 13' ' ' TYR . 27.6 p -45.36 -49.97 12.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.175 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.7 t -56.33 -34.32 66.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.148 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -60.62 -46.08 91.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.826 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.1 tp -61.79 -48.92 78.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.4 mt -59.83 -41.77 86.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -72.37 -32.11 66.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.578 ' O ' HG22 ' A' ' 34' ' ' VAL . 25.2 t60 -62.24 -46.26 89.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -47.23 -23.77 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -56.56 -42.66 78.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.578 HG22 ' O ' ' A' ' 31' ' ' HIS . 6.2 m -54.96 -24.7 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -87.55 14.02 9.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.462 HG23 ' N ' ' A' ' 37' ' ' GLY . 14.6 t -73.83 -42.28 61.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.462 ' N ' HG23 ' A' ' 36' ' ' THR . . . -73.09 159.4 53.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.493 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.406 ' C ' ' HG2' ' A' ' 39' ' ' LYS . 31.2 tt0 -89.04 72.39 8.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.914 0.388 . . . . 0.0 110.904 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.406 ' HG2' ' C ' ' A' ' 38' ' ' GLU . 40.9 mmtm -151.52 141.02 14.12 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.551 0.691 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -8.06 22.63 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.714 2.276 . . . . 0.0 112.348 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 95.7 p -45.83 122.17 3.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 168.32 144.88 4.34 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 126.13 12.97 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.721 2.281 . . . . 0.0 112.343 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.7 p -90.12 -47.84 7.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.856 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 80.3 p -64.63 164.6 11.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.853 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 CA-C-O 119.1 -0.834 . . . . 0.0 112.495 179.981 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? . . . . . 0 C--O 1.232 0.167 0 CA-C-O 121.56 0.695 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 0.91 4.94 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.678 2.252 . . . . 0.0 112.327 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.521 ' CE1' HG22 ' A' ' 25' ' ' THR . 10.6 m-85 -113.74 109.11 18.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.946 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -141.14 133.23 27.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.9 t -64.41 126.24 27.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.2 mtpt -93.64 24.15 4.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -117.19 -37.37 3.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -127.04 -42.24 1.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.35 70.51 0.51 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.6 ttmm -137.04 124.3 21.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.798 0.332 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.94 132.69 44.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -120.93 155.7 33.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.1 t -97.36 22.12 9.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -155.57 119.57 4.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.521 HG22 ' CE1' ' A' ' 13' ' ' TYR . 41.0 p -49.99 -41.28 46.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.167 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.418 ' H ' HG22 ' A' ' 26' ' ' THR . 0.6 OUTLIER -62.95 -31.62 72.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -66.73 -44.47 81.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.5 tp -61.09 -45.72 93.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.4 mt -62.11 -36.43 74.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -69.29 -47.2 65.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.943 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.875 ' O ' HG22 ' A' ' 34' ' ' VAL . 61.1 t60 -51.49 -44.53 62.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 43.8 mm-40 -44.72 -31.83 1.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 43.4 mtt-85 -48.04 -44.32 30.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.838 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.875 HG22 ' O ' ' A' ' 31' ' ' HIS . 20.7 m -61.09 -27.74 42.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 179.946 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.407 ' CD ' ' HA ' ' A' ' 23' ' ' SER . 18.7 mtmt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 121.631 0.729 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 1.31 4.59 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.627 2.218 . . . . 0.0 112.347 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -117.47 113.59 22.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.933 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -139.89 143.26 36.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.4 t -76.37 123.01 25.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -87.98 21.24 2.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.511 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 2.2 mm-40 -113.94 -33.39 5.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.8 p -131.7 -43.17 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.851 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.23 54.46 0.38 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -123.94 128.57 49.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.795 0.331 . . . . 0.0 110.86 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.14 138.99 34.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.062 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -124.84 129.98 51.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.407 ' HA ' ' CD ' ' A' ' 11' ' ' LYS . 96.6 p -51.23 -43.14 61.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -107.47 148.13 29.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.946 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.9 p -62.89 -52.64 62.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.0 t -44.09 -34.65 1.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.18 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -65.23 -42.32 93.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.4 tp -72.96 -53.84 10.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.6 mt -46.68 -44.36 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.127 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -71.1 -42.97 68.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.712 ' O ' HG22 ' A' ' 34' ' ' VAL . 57.2 t60 -57.52 -37.08 72.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -58.52 -13.63 6.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.9 mmt85 -68.6 -29.13 67.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.712 HG22 ' O ' ' A' ' 31' ' ' HIS . 10.2 m -70.55 -18.94 21.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.511 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 97.3 m-70 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.457 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 121.563 0.696 . . . . 0.0 110.865 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 2.63 3.36 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.318 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.42 ' CZ ' ' OG1' ' A' ' 25' ' ' THR . 60.0 m-85 -139.4 131.99 28.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.859 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -157.96 147.54 19.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.0 t -80.33 120.4 24.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.68 32.56 0.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -125.28 -33.06 2.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.3 p -132.48 -41.66 0.96 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.93 65.93 0.45 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.514 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.35 119.02 20.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.819 0.342 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.457 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -96.84 138.7 33.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.532 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 55.9 m-85 -126.74 129.95 49.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 81.6 p -49.84 -41.14 44.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -110.77 153.61 25.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.42 ' OG1' ' CZ ' ' A' ' 13' ' ' TYR . 18.7 m -65.01 -52.63 54.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.429 HG23 ' N ' ' A' ' 27' ' ' HIS . 9.5 t -47.21 -41.46 18.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.429 ' N ' HG23 ' A' ' 26' ' ' THR . 4.0 m-70 -55.89 -43.65 77.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.79 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.2 tp -66.85 -54.44 22.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.5 mt -46.63 -39.58 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -71.71 -41.21 68.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.716 ' O ' HG22 ' A' ' 34' ' ' VAL . 8.2 t60 -51.13 -35.1 33.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -51.25 -18.14 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 69.9 mtt180 -60.23 -42.11 94.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.716 HG22 ' O ' ' A' ' 31' ' ' HIS . 18.0 m -58.12 -19.32 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.953 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.56 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.577 0.703 . . . . 0.0 110.919 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -8.02 22.53 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.691 2.261 . . . . 0.0 112.366 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.527 ' CE1' ' HB ' ' A' ' 25' ' ' THR . 36.9 m-85 -128.13 124.24 36.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -144.46 147.71 33.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.7 t -80.93 126.69 31.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.6 mmmt -94.29 26.36 3.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.522 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 4.1 mm-40 -121.27 -34.91 3.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.5 p -129.59 -41.09 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.1 61.02 0.45 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.443 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.5 tttm -131.37 128.55 39.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.796 0.331 . . . . 0.0 110.928 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.56 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -98.7 138.77 35.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.094 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.451 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 3.1 m-85 -120.94 146.67 46.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.6 t -62.48 -40.68 97.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -108.36 151.62 25.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.945 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.527 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 5.5 t -71.0 -39.76 72.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.168 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.3 t -61.08 -31.49 71.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.153 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -65.49 -41.72 92.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.827 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.418 HD13 ' CE1' ' A' ' 22' ' ' PHE . 55.2 tp -68.85 -28.73 66.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.939 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 8.1 mt -70.27 -41.65 78.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -71.51 -34.73 70.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.983 ' O ' HG22 ' A' ' 34' ' ' VAL . 21.5 t60 -68.33 -24.84 64.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -62.19 -17.32 57.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -60.72 -27.93 68.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.983 HG22 ' O ' ' A' ' 31' ' ' HIS . 35.7 m -73.44 -9.84 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.522 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 86.8 m-70 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.478 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 121.572 0.701 . . . . 0.0 110.872 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.524 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.8 Cg_endo -69.79 -11.59 31.12 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.686 2.257 . . . . 0.0 112.366 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.524 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 26.4 m-85 -134.71 128.87 33.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.453 ' HG3' ' HB2' ' A' ' 21' ' ' ALA . 18.3 tt0 -148.28 136.75 21.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 50.7 t -69.06 117.81 11.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -88.0 39.39 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -134.35 -39.13 0.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.3 p -124.56 -41.23 2.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.7 60.33 0.4 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.539 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.4 tttp -131.62 123.14 27.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.838 0.352 . . . . 0.0 110.866 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.478 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -99.22 137.41 37.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.446 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 93.0 m-85 -119.63 128.97 54.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.4 p -52.42 -19.25 2.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -128.12 144.91 51.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.488 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 9.4 t -65.09 -43.31 92.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.178 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.453 ' N ' HG23 ' A' ' 25' ' ' THR . 5.2 t -59.06 -35.51 73.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.148 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.432 ' HB3' ' CD2' ' A' ' 22' ' ' PHE . 10.3 m170 -59.17 -38.69 80.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.2 tp -69.7 -38.33 76.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.5 mm -53.69 -47.03 62.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -72.51 -35.08 68.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.677 ' O ' HG22 ' A' ' 34' ' ' VAL . 34.8 t60 -60.41 -42.37 95.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -57.8 -24.1 55.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.2 mmt85 -56.87 -33.24 66.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.677 HG22 ' O ' ' A' ' 31' ' ' HIS . 4.8 m -64.27 -27.46 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 179.901 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 121.586 0.708 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.583 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.7 0.48 5.53 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.675 2.25 . . . . 0.0 112.375 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.609 ' CE1' HG22 ' A' ' 25' ' ' THR . 24.1 m-85 -137.23 131.01 31.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.953 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -153.7 150.71 28.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.9 t -91.98 102.03 14.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.2 mttm -63.92 -14.67 55.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -67.62 -59.06 3.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.6 p -112.05 -44.23 3.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.65 67.28 0.29 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.536 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 16.8 tttp -135.01 123.02 22.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.779 0.324 . . . . 0.0 110.894 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.27 144.15 28.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.083 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.536 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 46.0 m-85 -133.71 137.58 45.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.0 m -51.33 -47.53 62.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -107.92 155.78 19.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.609 HG22 ' CE1' ' A' ' 13' ' ' TYR . 36.7 p -62.63 -51.7 66.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.6 p -45.41 -48.19 13.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -52.45 -30.27 28.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.6 tp -82.58 -26.07 32.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.963 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.1 mm -72.93 -45.09 56.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.1 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.543 ' CG ' ' N ' ' A' ' 31' ' ' HIS . 9.6 pt20 -58.18 -50.71 72.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.872 ' O ' HG22 ' A' ' 34' ' ' VAL . 18.3 t60 -49.58 -48.34 48.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 31' ' ' HIS . 63.5 mm-40 -37.28 -28.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 31' ' ' HIS . 59.0 mtp180 -50.72 -47.83 59.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.819 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.872 HG22 ' O ' ' A' ' 31' ' ' HIS . 24.2 m -54.03 -24.59 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 55.2 m-70 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.908 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.432 ' HD3' ' C ' ' A' ' 22' ' ' PHE . 38.2 mttt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 121.557 0.694 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -3.78 12.69 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.706 2.271 . . . . 0.0 112.315 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.657 ' CD1' HG22 ' A' ' 25' ' ' THR . 4.3 m-85 -119.11 115.5 24.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.894 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -138.97 146.25 40.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.6 t -79.24 115.02 18.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.01 0.08 37.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -91.47 -41.64 10.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.46 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 20.1 p -127.11 -37.17 2.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.2 69.45 0.64 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.477 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.09 124.52 26.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.818 0.342 . . . . 0.0 110.934 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.99 135.71 35.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.432 ' C ' ' HD3' ' A' ' 11' ' ' LYS . 72.2 m-85 -126.69 142.27 51.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.0 p -61.04 -38.62 86.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -113.09 138.76 49.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.657 HG22 ' CD1' ' A' ' 13' ' ' TYR . 69.1 p -56.09 -44.38 78.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.405 ' HA ' HD12 ' A' ' 29' ' ' ILE . 10.3 p -48.88 -58.37 4.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -44.14 -46.7 8.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.9 tp -58.23 -50.01 75.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.405 HD12 ' HA ' ' A' ' 26' ' ' THR . 23.8 mt -59.09 -45.42 92.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -63.31 -24.94 68.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.598 ' O ' HG22 ' A' ' 34' ' ' VAL . 37.2 t60 -78.25 -30.12 48.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.797 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -62.2 -10.91 12.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -67.58 -27.58 67.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.598 HG22 ' O ' ' A' ' 31' ' ' HIS . 5.3 m -78.14 -19.19 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.46 ' CE1' ' HB3' ' A' ' 18' ' ' CYS . 44.0 m-70 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 121.567 0.698 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -0.38 6.88 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.676 2.251 . . . . 0.0 112.348 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -115.08 113.38 23.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -148.56 133.93 18.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.2 t -64.29 125.25 23.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -93.91 28.97 2.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -121.61 -38.17 2.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.2 p -128.53 -40.93 1.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.9 84.97 1.4 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.493 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.4 tttt -154.82 125.75 7.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.804 0.335 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.81 148.98 21.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -134.85 130.77 36.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.1 t -48.39 -46.17 36.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -107.5 158.39 17.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 85.6 m -72.71 -44.01 62.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 t -55.67 -28.29 54.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.156 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -71.26 -39.52 71.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.9 tp -68.02 -44.1 77.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 69.9 mt -58.9 -47.24 90.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.16 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.486 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 70.9 mm-40 -58.43 -41.34 84.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -61.58 -47.23 86.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -41.57 -27.72 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.486 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 32.1 mmt180 -42.37 -45.96 4.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.409 HG23 ' N ' ' A' ' 35' ' ' HIS . 8.2 m -49.73 -39.31 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.409 ' N ' HG23 ' A' ' 34' ' ' VAL . 37.3 m-70 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.442 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.587 0.708 . . . . 0.0 110.904 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -3.22 11.57 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 2.242 . . . . 0.0 112.375 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -123.19 116.39 23.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.953 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -149.31 158.41 44.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 39.0 t -94.67 111.41 23.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.834 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.1 mtpt -71.23 -19.02 62.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -65.65 -53.07 46.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.4 p -112.18 -45.12 3.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.66 69.79 0.52 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.527 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.3 tttp -138.77 124.13 19.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.834 0.349 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.442 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -96.34 141.12 30.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -124.59 145.95 49.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.8 t -58.61 -45.37 89.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -113.37 141.25 47.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.94 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.1 m -53.39 -46.51 69.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.9 p -45.58 -40.2 8.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.177 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 43.4 m170 -61.79 -40.68 96.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.1 tp -71.07 -55.82 7.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 94.6 mt -42.93 -49.37 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.102 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -64.07 -43.01 96.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.98 ' O ' HG22 ' A' ' 34' ' ' VAL . 22.3 t60 -60.47 -41.28 93.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -48.36 -27.71 2.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -53.7 -38.29 64.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.98 HG22 ' O ' ' A' ' 31' ' ' HIS . 32.8 m -61.27 -11.2 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.933 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.475 ' HE3' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 121.622 0.725 . . . . 0.0 110.883 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -0.04 6.32 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.692 2.261 . . . . 0.0 112.348 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.569 ' CD1' HG22 ' A' ' 25' ' ' THR . 5.6 m-85 -109.86 111.53 23.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -138.83 156.82 47.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 19' ' ' GLY . 8.5 t -93.15 78.67 4.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.414 ' HD2' ' C ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -43.23 -24.11 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' ' 15' ' ' CYS . 44.1 mm-40 -62.33 -52.54 63.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.828 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.3 p -112.05 -43.69 3.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 114.71 64.24 0.41 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.9 tttp -137.83 128.39 26.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.763 0.316 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.19 142.24 30.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.048 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.405 ' CE1' HD13 ' A' ' 28' ' ' LEU . 26.4 m-85 -122.39 154.18 38.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 87.9 p -73.95 -20.27 60.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.859 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -134.65 138.06 44.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.569 HG22 ' CD1' ' A' ' 13' ' ' TYR . 59.4 p -52.54 -51.48 59.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.147 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.5 p -50.0 -44.75 51.26 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.599 ' CD2' ' NE2' ' A' ' 30' ' ' GLN . 3.7 t-160 -60.39 -30.95 69.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.864 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.405 HD13 ' CE1' ' A' ' 22' ' ' PHE . 15.4 tp -76.76 -30.17 56.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.936 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.3 mt -74.9 -42.59 46.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.088 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.599 ' NE2' ' CD2' ' A' ' 27' ' ' HIS . 12.6 pt20 -54.77 -46.58 74.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.64 ' O ' HG22 ' A' ' 34' ' ' VAL . 24.3 t60 -58.6 -48.74 79.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.814 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 -40.22 -25.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 31' ' ' HIS . 12.4 mmm180 -52.6 -46.34 66.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.64 HG22 ' O ' ' A' ' 31' ' ' HIS . 22.5 m -57.41 -28.6 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 56.9 m-70 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 179.982 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.655 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 2.6 mptt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.588 0.709 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -7.71 21.75 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.681 2.254 . . . . 0.0 112.359 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.555 ' CE1' ' HB ' ' A' ' 25' ' ' THR . 8.6 m-85 -123.95 108.21 12.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -137.33 139.49 40.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.5 t -67.15 123.12 19.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -91.19 31.87 1.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -126.55 -38.2 2.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.1 p -124.55 -42.45 2.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.51 65.76 0.46 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.499 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.1 tttp -135.75 122.71 21.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.826 0.346 . . . . 0.0 110.849 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.655 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -99.67 137.65 37.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.104 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -124.54 132.43 53.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.8 p -43.17 -49.39 6.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.552 ' HB3' HG22 ' A' ' 26' ' ' THR . 46.0 mt-30 -101.52 132.52 47.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.555 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 5.5 t -56.68 -37.91 71.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.552 HG22 ' HB3' ' A' ' 24' ' ' GLN . 4.6 t -55.96 -36.13 67.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.101 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.45 ' HD2' HG23 ' A' ' 26' ' ' THR . 8.7 m-70 -60.77 -39.85 90.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.848 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.1 tp -68.86 -32.64 72.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.7 mm -57.25 -46.85 85.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.145 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.1 mm100 -70.52 -41.31 72.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.769 ' O ' HG22 ' A' ' 34' ' ' VAL . 31.8 t60 -57.85 -44.66 86.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.846 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -45.01 -30.02 0.95 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.9 mmm-85 -52.76 -39.43 62.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.769 HG22 ' O ' ' A' ' 31' ' ' HIS . 14.4 m -57.45 -14.86 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.164 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.539 ' CD2' HG23 ' A' ' 34' ' ' VAL . 78.6 m-70 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.7 mtmm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.616 0.722 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 0.17 6.0 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.704 2.27 . . . . 0.0 112.357 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.461 ' HB3' HD22 ' A' ' 28' ' ' LEU . 14.6 m-85 -120.75 120.08 34.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -150.59 135.38 17.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.1 t -69.23 118.46 12.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -87.52 30.49 0.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -123.05 -40.2 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.0 p -127.03 -40.48 1.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.92 71.62 0.52 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.1 ttmt -138.33 124.34 20.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.829 0.347 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.25 143.15 30.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.123 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.457 ' CD2' ' HB3' ' A' ' 27' ' ' HIS . 95.0 m-85 -131.37 135.92 47.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.4 m -57.33 -38.68 74.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -106.51 174.64 5.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.4 p -87.25 -41.49 13.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.183 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.418 ' H ' HG22 ' A' ' 26' ' ' THR . 0.8 OUTLIER -60.76 -31.05 70.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.457 ' HB3' ' CD2' ' A' ' 22' ' ' PHE . 15.6 m80 -70.86 -26.39 63.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.461 HD22 ' HB3' ' A' ' 13' ' ' TYR . 16.9 tp -85.88 -47.09 9.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 78.3 mt -59.19 -40.99 82.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.542 ' CG ' ' N ' ' A' ' 31' ' ' HIS . 4.2 pt20 -60.58 -50.65 72.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.563 ' O ' HG22 ' A' ' 34' ' ' VAL . 6.1 t60 -60.84 -40.83 94.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -45.53 -25.99 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -52.25 -41.75 63.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.563 HG22 ' O ' ' A' ' 31' ' ' HIS . 11.1 m -56.48 -14.8 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 179.949 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.6 mmtt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.618 0.723 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 1.26 4.64 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.716 2.277 . . . . 0.0 112.321 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -120.7 116.38 25.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -144.54 157.16 44.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 19' ' ' GLY . 35.2 t -98.93 106.55 18.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -62.64 -25.83 68.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -56.11 -58.79 6.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.4 p -110.31 -40.18 4.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 109.39 63.8 0.54 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.479 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.2 tttm -131.06 128.66 40.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.789 0.328 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.18 139.84 34.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -124.05 137.15 54.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.844 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.5 m -58.04 -42.71 85.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.849 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -97.66 167.38 10.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 39.7 p -86.63 -47.8 8.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.156 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.7 t -57.12 -24.63 55.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -68.58 -41.49 79.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.7 tp -67.01 -50.95 60.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 59.9 mt -52.93 -44.68 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -67.62 -38.71 84.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.522 ' O ' HG22 ' A' ' 34' ' ' VAL . 10.4 t60 -60.68 -51.33 69.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.823 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -39.4 -29.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 31' ' ' HIS . 10.4 mmm180 -49.89 -46.61 51.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.522 HG22 ' O ' ' A' ' 31' ' ' HIS . 16.9 m -47.91 -25.87 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 179.927 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.566 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 21.9 mmtt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.56 0.695 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -2.98 11.1 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.645 2.23 . . . . 0.0 112.355 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.402 ' CE1' ' HB ' ' A' ' 25' ' ' THR . 22.2 m-85 -126.84 112.42 15.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.945 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.523 ' O ' HD21 ' A' ' 28' ' ' LEU . 10.9 tt0 -136.17 159.29 42.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.0 t -97.51 119.67 36.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.3 mmtt -85.64 29.79 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -122.91 -33.31 3.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.6 p -129.86 -44.24 1.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.53 58.81 0.37 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -129.88 133.34 46.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.566 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -101.88 137.65 39.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.123 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -123.17 129.16 51.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 91.6 p -51.33 -40.35 58.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -104.27 146.33 28.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.433 HG23 ' N ' ' A' ' 26' ' ' THR . 7.4 t -66.2 -43.54 86.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.433 ' N ' HG23 ' A' ' 25' ' ' THR . 2.8 t -60.14 -27.46 67.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.136 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -67.26 -41.65 85.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.843 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.523 HD21 ' O ' ' A' ' 14' ' ' GLU . 43.8 tp -66.39 -52.06 50.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.1 mt -56.37 -45.5 81.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.489 ' HA ' ' CD ' ' A' ' 33' ' ' ARG . 45.0 mm-40 -62.54 -26.09 68.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.595 ' O ' HG13 ' A' ' 34' ' ' VAL . 9.2 t60 -81.07 -36.89 29.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -52.25 -20.92 2.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.489 ' CD ' ' HA ' ' A' ' 30' ' ' GLN . 1.4 mpt_? -59.1 -35.29 73.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.595 HG13 ' O ' ' A' ' 31' ' ' HIS . 2.3 m -59.95 -23.35 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.131 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.944 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.444 ' HE3' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.599 0.714 . . . . 0.0 110.921 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 0.86 5.0 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.703 2.268 . . . . 0.0 112.376 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.549 ' CE1' ' HB ' ' A' ' 25' ' ' THR . 45.9 m-85 -135.92 127.81 29.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -157.13 131.84 8.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.5 t -62.45 118.34 7.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.87 40.2 0.89 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -133.31 -43.65 0.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.6 p -120.05 -40.15 2.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.51 65.71 0.46 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.482 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt -131.48 119.59 21.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.801 0.334 . . . . 0.0 110.918 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.85 134.74 42.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -120.33 153.63 36.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.6 t -60.49 -46.54 89.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -111.62 168.78 9.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.549 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 10.2 t -77.18 -41.74 40.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.171 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.675 ' HA ' HD12 ' A' ' 29' ' ' ILE . 5.9 t -54.87 -32.76 61.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 46.7 m170 -62.95 -44.98 94.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.6 tp -63.37 -43.42 97.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.675 HD12 ' HA ' ' A' ' 26' ' ' THR . 71.3 mt -52.0 -49.96 36.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -63.24 -40.72 98.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 33' ' ' ARG . 21.0 t60 -57.95 -45.81 86.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -42.57 -23.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 31' ' ' HIS . 82.6 mtt180 -52.05 -40.96 61.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.488 HG23 ' CE1' ' A' ' 35' ' ' HIS . 14.0 m -57.2 -16.82 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.488 ' CE1' HG23 ' A' ' 34' ' ' VAL . 48.5 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.3 mmtp . . . . . 0 C--O 1.232 0.137 0 CA-C-O 121.591 0.71 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -4.81 14.8 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.72 2.28 . . . . 0.0 112.317 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.413 ' CE1' ' HB ' ' A' ' 25' ' ' THR . 26.6 m-85 -115.22 113.66 24.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -141.66 151.03 42.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 19' ' ' GLY . 5.2 t -87.93 89.73 8.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.867 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -55.21 -16.35 3.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -72.38 -52.6 15.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.3 p -111.85 -44.19 3.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 115.93 61.37 0.35 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.482 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.3 tttp -130.49 124.74 32.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.804 0.335 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.66 137.8 33.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -126.8 142.86 51.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.8 t -52.04 -46.57 65.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -113.11 160.44 18.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.413 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 9.8 t -69.4 -38.19 77.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.3 p -58.8 -33.89 70.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.421 ' HA ' ' CD ' ' A' ' 30' ' ' GLN . 18.0 m-70 -70.22 -21.87 62.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.4 tp -87.95 -44.21 11.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.952 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.6 mt -62.14 -38.27 80.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.471 ' HG3' ' N ' ' A' ' 31' ' ' HIS . 14.3 pt20 -59.85 -52.2 66.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.79 ' O ' HG22 ' A' ' 34' ' ' VAL . 12.8 t60 -60.35 -39.54 87.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -47.97 -20.55 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -57.66 -37.82 74.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.79 HG22 ' O ' ' A' ' 31' ' ' HIS . 28.4 m -66.01 -13.05 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.945 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.7 mptt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.587 0.708 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.562 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.72 -3.02 11.14 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.694 2.263 . . . . 0.0 112.342 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.562 ' CE2' ' HG2' ' A' ' 12' ' ' PRO . 9.5 m-85 -131.47 126.01 33.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.917 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -151.24 145.17 25.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.2 t -79.12 113.3 17.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.5 tttt -83.26 36.88 0.53 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -126.69 -40.09 1.94 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.6 p -130.21 -39.23 1.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.86 73.44 0.53 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.443 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.4 tttt -141.91 130.32 22.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.822 0.344 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.45 144.34 27.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -132.59 128.8 37.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.3 t -56.42 -38.23 71.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -111.27 148.69 32.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.3 m -60.97 -50.95 71.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.457 HG23 ' N ' ' A' ' 27' ' ' HIS . 9.9 t -52.76 -43.53 65.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.105 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.457 ' N ' HG23 ' A' ' 26' ' ' THR . 9.8 m80 -58.05 -28.16 64.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.5 tp -79.04 -36.99 40.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 51.8 mt -68.17 -41.63 84.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.144 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.44 ' NE2' ' HA ' ' A' ' 27' ' ' HIS . 12.4 pt20 -57.12 -46.98 82.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.916 ' O ' HG22 ' A' ' 34' ' ' VAL . 11.9 t60 -58.86 -38.69 79.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -50.43 -23.7 2.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.1 mmp_? -56.43 -29.42 61.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.916 HG22 ' O ' ' A' ' 31' ' ' HIS . 33.2 m -71.95 -8.76 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.919 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.427 ' NZ ' ' HB3' ' A' ' 23' ' ' SER . 7.9 mmmm . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.569 0.699 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.4 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.8 0.37 5.77 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.656 2.237 . . . . 0.0 112.318 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.4 ' CE2' ' HG2' ' A' ' 12' ' ' PRO . 26.2 m-85 -141.44 112.58 7.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.48 ' CG ' ' O ' ' A' ' 20' ' ' LYS . 18.5 tt0 -140.44 132.59 28.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.6 t -63.07 118.96 8.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -84.3 27.09 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -115.53 -34.96 4.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.9 p -130.54 -46.84 1.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.48 26.38 0.88 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.429 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.48 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 5.4 tptp -86.57 159.85 19.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.769 0.318 . . . . 0.0 110.934 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.44 141.75 50.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.118 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.479 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 18.9 m-85 -139.29 126.1 20.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.427 ' HB3' ' NZ ' ' A' ' 11' ' ' LYS . 53.6 p -58.68 -34.65 71.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.419 ' HB2' ' ND1' ' A' ' 27' ' ' HIS . 14.2 mm100 -104.74 150.41 24.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.8 p -65.93 -54.49 25.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.0 t -50.46 -32.79 18.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.481 ' HA ' ' NE2' ' A' ' 30' ' ' GLN . 31.7 m170 -68.42 -27.67 66.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.485 ' O ' HD12 ' A' ' 28' ' ' LEU . 13.1 tp -81.73 -28.96 33.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.9 mt -75.76 -41.5 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.489 ' HG3' ' N ' ' A' ' 31' ' ' HIS . 24.6 pt20 -58.9 -47.87 83.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.748 ' O ' HG22 ' A' ' 34' ' ' VAL . 8.1 t60 -65.4 -38.47 90.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.821 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -50.76 -25.45 4.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 50.2 mtp85 -55.47 -27.79 50.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.748 HG22 ' O ' ' A' ' 31' ' ' HIS . 18.1 m -68.35 -17.46 22.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.171 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.506 ' CD2' HG23 ' A' ' 34' ' ' VAL . 47.0 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.584 0.707 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 2.68 3.31 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.726 2.284 . . . . 0.0 112.325 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.453 ' CE1' ' HB ' ' A' ' 25' ' ' THR . 36.0 m-85 -123.94 121.92 36.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -151.01 140.31 21.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.1 t -78.64 80.72 5.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.6 mtpt -46.71 -20.69 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -60.51 -59.24 5.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.4 p -112.74 -39.07 4.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.03 72.98 0.44 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.507 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.541 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 0.7 OUTLIER -138.47 116.79 11.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.761 0.315 . . . . 0.0 110.895 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.13 133.22 37.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.089 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.569 ' CD1' ' HB3' ' A' ' 27' ' ' HIS . 97.7 m-85 -124.25 149.78 46.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.8 t -63.16 -40.78 98.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -113.95 142.25 46.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.453 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 9.9 t -52.18 -41.38 62.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.148 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.423 ' N ' HG23 ' A' ' 25' ' ' THR . 7.5 t -56.59 -41.64 77.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.569 ' HB3' ' CD1' ' A' ' 22' ' ' PHE . 6.6 m-70 -59.57 -21.8 60.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.878 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.4 tp -87.56 -46.64 9.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 73.3 mt -62.32 -36.55 75.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.493 ' CD ' ' N ' ' A' ' 31' ' ' HIS . 1.6 pp0? -61.99 -51.32 68.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.981 ' O ' HG22 ' A' ' 34' ' ' VAL . 7.1 t60 -58.62 -41.34 85.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -42.89 -25.33 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -56.29 -42.96 78.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.981 HG22 ' O ' ' A' ' 31' ' ' HIS . 26.2 m -52.29 -21.82 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 179.962 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.408 ' HA ' ' HD2' ' A' ' 12' ' ' PRO . 6.2 mtmp? . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.535 0.683 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 11' ' ' LYS . 54.0 Cg_endo -69.77 2.52 3.46 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.657 2.238 . . . . 0.0 112.347 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.593 ' CE1' HG22 ' A' ' 25' ' ' THR . 22.9 m-85 -113.41 112.33 23.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -138.88 156.54 47.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.9 t -83.81 122.67 28.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.1 mttt -87.85 34.59 0.72 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -127.42 -38.02 1.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.2 p -126.75 -41.83 1.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.75 67.25 0.47 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.9 tttt -132.86 122.62 24.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.772 0.32 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.91 139.35 31.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -128.82 146.19 50.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.7 p -86.06 -2.39 58.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -127.76 116.41 20.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.94 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.593 HG22 ' CE1' ' A' ' 13' ' ' TYR . 27.6 p -45.36 -49.97 12.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.175 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.7 t -56.33 -34.32 66.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.148 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -60.62 -46.08 91.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.826 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.1 tp -61.79 -48.92 78.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.4 mt -59.83 -41.77 86.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -72.37 -32.11 66.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.578 ' O ' HG22 ' A' ' 34' ' ' VAL . 25.2 t60 -62.24 -46.26 89.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -47.23 -23.77 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -56.56 -42.66 78.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.578 HG22 ' O ' ' A' ' 31' ' ' HIS . 6.2 m -54.96 -24.7 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.917 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 t 67.44 41.56 2.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.372 . . . . 0.0 110.857 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.4 t -84.08 -46.64 11.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.864 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 66.66 -136.58 33.78 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 4' ' ' GLY . 77.6 p 38.08 43.23 0.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.865 0.364 . . . . 0.0 110.847 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.0 m -124.45 110.79 14.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.31 42.79 3.18 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.2 p -39.59 -45.4 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.848 0.356 . . . . 0.0 111.188 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -143.25 -67.55 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.473 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -38.85 142.49 0.21 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.888 0.375 . . . . 0.0 110.923 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? -64.23 149.51 94.21 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.56 0.695 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 0.91 4.94 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.678 2.252 . . . . 0.0 112.327 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.521 ' CE1' HG22 ' A' ' 25' ' ' THR . 10.6 m-85 -113.74 109.11 18.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.946 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -141.14 133.23 27.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.9 t -64.41 126.24 27.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.2 mtpt -93.64 24.15 4.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -117.19 -37.37 3.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -127.04 -42.24 1.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.35 70.51 0.51 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.6 ttmm -137.04 124.3 21.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.798 0.332 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.94 132.69 44.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -120.93 155.7 33.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.1 t -97.36 22.12 9.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -155.57 119.57 4.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.521 HG22 ' CE1' ' A' ' 13' ' ' TYR . 41.0 p -49.99 -41.28 46.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.167 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.418 ' H ' HG22 ' A' ' 26' ' ' THR . 0.6 OUTLIER -62.95 -31.62 72.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -66.73 -44.47 81.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.5 tp -61.09 -45.72 93.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.4 mt -62.11 -36.43 74.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -69.29 -47.2 65.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.943 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.875 ' O ' HG22 ' A' ' 34' ' ' VAL . 61.1 t60 -51.49 -44.53 62.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 43.8 mm-40 -44.72 -31.83 1.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 43.4 mtt-85 -48.04 -44.32 30.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.838 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.875 HG22 ' O ' ' A' ' 31' ' ' HIS . 20.7 m -61.09 -27.74 42.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -84.2 -27.45 28.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.2 t -111.85 53.38 0.73 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.161 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -177.25 52.45 0.1 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -127.21 167.63 15.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.904 0.383 . . . . 0.0 110.903 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -107.31 81.05 0.95 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.605 0.717 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 41' ' ' SER . 53.7 Cg_endo -69.74 117.95 5.39 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.688 2.259 . . . . 0.0 112.362 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 40' ' ' PRO . 1.8 t -36.49 125.78 0.83 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.23 64.77 2.54 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.473 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 102.37 1.03 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.722 2.281 . . . . 0.0 112.316 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.9 p -90.35 -52.36 4.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.809 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.6 p -154.5 175.1 14.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.83 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 119.059 -0.856 . . . . 0.0 112.444 179.998 . . . . . . . . 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 -0.357 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.1 m -160.5 147.84 15.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.892 0.377 . . . . 0.0 110.842 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -148.88 136.58 20.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.852 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.78 167.01 32.05 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.52 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m -127.23 81.94 2.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.908 0.385 . . . . 0.0 110.861 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 t -118.62 42.46 2.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.838 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.68 134.73 3.87 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 70.0 p -56.4 155.14 7.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.866 0.365 . . . . 0.0 111.169 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -161.26 -49.57 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.498 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.8 mp0 -49.91 151.28 1.91 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.929 0.395 . . . . 0.0 110.899 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.407 ' CD ' ' HA ' ' A' ' 23' ' ' SER . 18.7 mtmt -127.84 143.93 49.49 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.631 0.729 . . . . 0.0 110.844 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 1.31 4.59 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.627 2.218 . . . . 0.0 112.347 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -117.47 113.59 22.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.933 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -139.89 143.26 36.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.4 t -76.37 123.01 25.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -87.98 21.24 2.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.511 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 2.2 mm-40 -113.94 -33.39 5.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.8 p -131.7 -43.17 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.851 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.23 54.46 0.38 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -123.94 128.57 49.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.795 0.331 . . . . 0.0 110.86 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.14 138.99 34.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.062 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -124.84 129.98 51.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.407 ' HA ' ' CD ' ' A' ' 11' ' ' LYS . 96.6 p -51.23 -43.14 61.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -107.47 148.13 29.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.946 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.9 p -62.89 -52.64 62.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.0 t -44.09 -34.65 1.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.18 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -65.23 -42.32 93.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.4 tp -72.96 -53.84 10.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.6 mt -46.68 -44.36 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.127 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -71.1 -42.97 68.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.712 ' O ' HG22 ' A' ' 34' ' ' VAL . 57.2 t60 -57.52 -37.08 72.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -58.52 -13.63 6.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.509 ' HA ' HG22 ' A' ' 36' ' ' THR . 21.9 mmt85 -68.6 -29.13 67.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.712 HG22 ' O ' ' A' ' 31' ' ' HIS . 10.2 m -70.55 -18.94 21.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.511 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 97.3 m-70 -97.76 -19.87 17.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.509 HG22 ' HA ' ' A' ' 33' ' ' ARG . 1.4 t -96.65 -18.42 19.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -53.91 -32.97 49.42 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.466 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -100.49 111.51 23.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.922 0.392 . . . . 0.0 110.871 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.5 mttm -77.38 144.03 69.82 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.589 0.709 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -16.48 37.8 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.715 2.277 . . . . 0.0 112.35 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 p -130.54 174.97 9.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -112.57 74.88 0.22 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.471 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 -49.18 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.674 2.25 . . . . 0.0 112.348 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 82.1 p -154.16 -177.86 6.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.865 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.8 t -39.72 123.55 1.57 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.445 -179.961 . . . . . . . . 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 -0.313 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 p -99.67 110.13 22.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 0.0 110.894 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.9 p -83.31 126.11 32.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.85 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.85 -83.1 0.22 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.466 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.3 p -116.44 112.53 21.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.867 0.365 . . . . 0.0 110.846 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.0 m -117.76 42.08 2.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.827 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.75 109.1 0.77 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.46 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 99.7 m -151.36 147.38 26.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.841 0.353 . . . . 0.0 111.158 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.11 122.5 21.11 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.517 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -82.64 7.63 14.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.928 0.394 . . . . 0.0 110.901 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.457 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -75.79 144.05 75.87 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.563 0.696 . . . . 0.0 110.865 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 2.63 3.36 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.318 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.42 ' CZ ' ' OG1' ' A' ' 25' ' ' THR . 60.0 m-85 -139.4 131.99 28.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.859 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -157.96 147.54 19.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.0 t -80.33 120.4 24.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.68 32.56 0.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -125.28 -33.06 2.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.3 p -132.48 -41.66 0.96 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.93 65.93 0.45 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.514 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.35 119.02 20.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.819 0.342 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.457 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -96.84 138.7 33.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.532 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 55.9 m-85 -126.74 129.95 49.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 81.6 p -49.84 -41.14 44.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -110.77 153.61 25.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.42 ' OG1' ' CZ ' ' A' ' 13' ' ' TYR . 18.7 m -65.01 -52.63 54.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.429 HG23 ' N ' ' A' ' 27' ' ' HIS . 9.5 t -47.21 -41.46 18.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.429 ' N ' HG23 ' A' ' 26' ' ' THR . 4.0 m-70 -55.89 -43.65 77.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.79 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.2 tp -66.85 -54.44 22.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.5 mt -46.63 -39.58 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -71.71 -41.21 68.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.716 ' O ' HG22 ' A' ' 34' ' ' VAL . 8.2 t60 -51.13 -35.1 33.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -51.25 -18.14 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.668 ' HA ' HG22 ' A' ' 36' ' ' THR . 69.9 mtt180 -60.23 -42.11 94.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.716 HG22 ' O ' ' A' ' 31' ' ' HIS . 18.0 m -58.12 -19.32 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -94.28 -14.76 25.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.668 HG22 ' HA ' ' A' ' 33' ' ' ARG . 4.8 t -114.48 35.92 4.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.65 29.11 3.31 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.512 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 39' ' ' LYS . 4.2 tp10 -147.21 148.04 31.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.921 0.391 . . . . 0.0 110.881 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.449 ' N ' ' HG3' ' A' ' 38' ' ' GLU . 37.6 mtmt -35.67 144.16 0.24 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.665 0.745 . . . . 0.0 110.834 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -43.61 2.59 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.678 2.252 . . . . 0.0 112.349 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.7 p 42.2 39.17 1.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -160.96 151.72 22.19 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.466 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -46.09 1.37 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.671 2.248 . . . . 0.0 112.363 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.5 p -137.71 164.43 28.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.3 m -154.64 164.37 38.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.458 -179.963 . . . . . . . . 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 1.451 -0.308 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.9 m 42.35 42.27 2.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.874 0.368 . . . . 0.0 110.849 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.1 m -90.33 131.78 35.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.65 121.91 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.492 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.8 p -39.99 125.11 1.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.841 0.353 . . . . 0.0 110.856 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.2 t -125.17 -57.15 1.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.21 177.55 26.86 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.462 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.2 m -117.99 136.99 53.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.822 0.344 . . . . 0.0 111.123 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 79.3 92.27 0.37 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.52 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -111.6 -179.43 3.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.934 0.397 . . . . 0.0 110.889 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.56 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -85.63 143.89 39.12 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.577 0.703 . . . . 0.0 110.919 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -8.02 22.53 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.691 2.261 . . . . 0.0 112.366 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.527 ' CE1' ' HB ' ' A' ' 25' ' ' THR . 36.9 m-85 -128.13 124.24 36.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -144.46 147.71 33.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.7 t -80.93 126.69 31.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.6 mmmt -94.29 26.36 3.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.522 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 4.1 mm-40 -121.27 -34.91 3.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.5 p -129.59 -41.09 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.1 61.02 0.45 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.443 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.5 tttm -131.37 128.55 39.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.796 0.331 . . . . 0.0 110.928 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.56 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -98.7 138.77 35.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.094 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.451 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 3.1 m-85 -120.94 146.67 46.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.6 t -62.48 -40.68 97.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -108.36 151.62 25.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.945 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.527 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 5.5 t -71.0 -39.76 72.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.168 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.3 t -61.08 -31.49 71.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.153 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -65.49 -41.72 92.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.827 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.418 HD13 ' CE1' ' A' ' 22' ' ' PHE . 55.2 tp -68.85 -28.73 66.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.939 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 8.1 mt -70.27 -41.65 78.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -71.51 -34.73 70.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.983 ' O ' HG22 ' A' ' 34' ' ' VAL . 21.5 t60 -68.33 -24.84 64.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.599 ' O ' HG23 ' A' ' 36' ' ' THR . 26.8 mm-40 -62.19 -17.32 57.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -60.72 -27.93 68.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.983 HG22 ' O ' ' A' ' 31' ' ' HIS . 35.7 m -73.44 -9.84 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.522 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 86.8 m-70 -115.75 23.96 11.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.599 HG23 ' O ' ' A' ' 32' ' ' GLN . 22.7 p -128.68 45.48 2.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.98 -146.1 4.54 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.483 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -122.8 95.57 4.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.954 0.407 . . . . 0.0 110.891 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -109.74 154.57 42.43 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.575 0.702 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -5.19 15.63 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.634 2.223 . . . . 0.0 112.358 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.2 t -105.61 148.85 26.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.71 -170.23 34.15 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -174.1 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.667 2.245 . . . . 0.0 112.393 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.9 m -153.5 171.69 18.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.4 t -57.67 163.03 2.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 CA-C-O 119.073 -0.849 . . . . 0.0 112.493 -179.96 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.9 m -144.73 153.98 42.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.876 0.369 . . . . 0.0 110.862 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.7 p -128.38 -46.36 1.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.57 131.92 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.472 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.8 t -122.01 119.14 30.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.861 0.362 . . . . 0.0 110.862 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -164.85 127.42 2.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.2 39.49 3.11 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.512 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.6 p -155.29 156.37 35.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.806 0.336 . . . . 0.0 111.106 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.94 40.83 0.62 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -130.1 27.69 5.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.922 0.391 . . . . 0.0 110.869 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.478 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -123.55 145.99 48.66 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.572 0.701 . . . . 0.0 110.872 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.524 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.8 Cg_endo -69.79 -11.59 31.12 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.686 2.257 . . . . 0.0 112.366 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.524 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 26.4 m-85 -134.71 128.87 33.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.453 ' HG3' ' HB2' ' A' ' 21' ' ' ALA . 18.3 tt0 -148.28 136.75 21.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 50.7 t -69.06 117.81 11.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -88.0 39.39 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -134.35 -39.13 0.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.3 p -124.56 -41.23 2.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.7 60.33 0.4 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.539 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.4 tttp -131.62 123.14 27.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.838 0.352 . . . . 0.0 110.866 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.478 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -99.22 137.41 37.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.446 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 93.0 m-85 -119.63 128.97 54.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.4 p -52.42 -19.25 2.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -128.12 144.91 51.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.488 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 9.4 t -65.09 -43.31 92.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.178 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.453 ' N ' HG23 ' A' ' 25' ' ' THR . 5.2 t -59.06 -35.51 73.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.148 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.432 ' HB3' ' CD2' ' A' ' 22' ' ' PHE . 10.3 m170 -59.17 -38.69 80.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.2 tp -69.7 -38.33 76.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.5 mm -53.69 -47.03 62.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -72.51 -35.08 68.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.677 ' O ' HG22 ' A' ' 34' ' ' VAL . 34.8 t60 -60.41 -42.37 95.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -57.8 -24.1 55.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.408 ' HA ' HG22 ' A' ' 36' ' ' THR . 16.2 mmt85 -56.87 -33.24 66.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.677 HG22 ' O ' ' A' ' 31' ' ' HIS . 4.8 m -64.27 -27.46 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -80.71 -20.67 42.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.706 HG23 ' O ' ' A' ' 36' ' ' THR . 4.3 t -118.17 40.5 3.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -131.88 -39.64 0.23 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.462 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -102.79 132.63 48.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.91 0.386 . . . . 0.0 110.91 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -148.0 153.25 41.69 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.544 0.687 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -4.73 14.64 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.705 2.27 . . . . 0.0 112.337 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.4 m -120.02 -175.2 2.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.18 77.03 0.74 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -32.4 18.77 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.697 2.265 . . . . 0.0 112.348 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.2 p -159.12 177.12 11.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.0 m -72.25 154.91 40.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.846 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.478 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m 61.5 54.36 3.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.862 0.363 . . . . 0.0 110.878 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.2 m 55.69 45.51 24.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.13 135.33 7.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.473 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.5 t -131.45 110.48 11.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.87 0.367 . . . . 0.0 110.827 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.2 p -114.16 175.82 5.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.825 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.7 106.16 1.95 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.488 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.3 m -63.17 -48.52 78.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.792 0.329 . . . . 0.0 111.148 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 141.18 170.61 12.28 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.44 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -126.49 123.34 37.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.912 0.387 . . . . 0.0 110.865 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.51 159.78 83.88 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.586 0.708 . . . . 0.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.583 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.7 0.48 5.53 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.675 2.25 . . . . 0.0 112.375 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.609 ' CE1' HG22 ' A' ' 25' ' ' THR . 24.1 m-85 -137.23 131.01 31.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.953 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -153.7 150.71 28.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.9 t -91.98 102.03 14.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.2 mttm -63.92 -14.67 55.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -67.62 -59.06 3.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.6 p -112.05 -44.23 3.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.65 67.28 0.29 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.536 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 16.8 tttp -135.01 123.02 22.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.779 0.324 . . . . 0.0 110.894 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.27 144.15 28.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.083 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.536 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 46.0 m-85 -133.71 137.58 45.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.0 m -51.33 -47.53 62.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -107.92 155.78 19.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.609 HG22 ' CE1' ' A' ' 13' ' ' TYR . 36.7 p -62.63 -51.7 66.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.6 p -45.41 -48.19 13.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -52.45 -30.27 28.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.6 tp -82.58 -26.07 32.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.963 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.1 mm -72.93 -45.09 56.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.1 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.543 ' CG ' ' N ' ' A' ' 31' ' ' HIS . 9.6 pt20 -58.18 -50.71 72.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.872 ' O ' HG22 ' A' ' 34' ' ' VAL . 18.3 t60 -49.58 -48.34 48.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 31' ' ' HIS . 63.5 mm-40 -37.28 -28.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 31' ' ' HIS . 59.0 mtp180 -50.72 -47.83 59.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.819 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.872 HG22 ' O ' ' A' ' 31' ' ' HIS . 24.2 m -54.03 -24.59 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 55.2 m-70 -86.11 -33.09 21.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.465 ' CG2' ' HA ' ' A' ' 33' ' ' ARG . 2.6 t -99.22 69.12 1.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 146.27 60.96 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -96.33 129.56 43.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.911 0.386 . . . . 0.0 110.926 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -113.73 80.86 5.29 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.557 0.694 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -49.33 0.57 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.641 2.228 . . . . 0.0 112.355 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.9 m 48.75 41.95 18.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 44.83 -158.19 0.19 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.462 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 109.12 2.24 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.668 2.246 . . . . 0.0 112.337 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.0 t -111.37 -45.78 3.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.819 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 46' ' ' GLY . 57.9 m -131.25 41.88 3.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 45' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 119.198 -0.779 . . . . 0.0 112.543 -179.976 . . . . . . . . 1 1 . 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 -0.326 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.1 m -103.1 171.32 7.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.89 0.376 . . . . 0.0 110.836 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -159.68 124.78 4.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.2 160.41 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.507 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.5 p -62.12 127.07 29.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.81 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 t -134.49 40.78 2.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 40.43 45.12 3.29 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.527 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 92.9 m -92.75 140.7 29.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.804 0.335 . . . . 0.0 111.156 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 129.9 -159.2 22.55 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.56 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -108.99 6.84 25.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.92 0.391 . . . . 0.0 110.891 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.432 ' HD3' ' C ' ' A' ' 22' ' ' PHE . 38.2 mttt -143.95 143.68 23.8 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.557 0.694 . . . . 0.0 110.922 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -3.78 12.69 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.706 2.271 . . . . 0.0 112.315 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.657 ' CD1' HG22 ' A' ' 25' ' ' THR . 4.3 m-85 -119.11 115.5 24.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.894 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -138.97 146.25 40.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.6 t -79.24 115.02 18.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.01 0.08 37.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -91.47 -41.64 10.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.46 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 20.1 p -127.11 -37.17 2.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.2 69.45 0.64 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.477 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.09 124.52 26.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.818 0.342 . . . . 0.0 110.934 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.99 135.71 35.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.432 ' C ' ' HD3' ' A' ' 11' ' ' LYS . 72.2 m-85 -126.69 142.27 51.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.0 p -61.04 -38.62 86.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -113.09 138.76 49.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.657 HG22 ' CD1' ' A' ' 13' ' ' TYR . 69.1 p -56.09 -44.38 78.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.405 ' HA ' HD12 ' A' ' 29' ' ' ILE . 10.3 p -48.88 -58.37 4.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -44.14 -46.7 8.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.9 tp -58.23 -50.01 75.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.405 HD12 ' HA ' ' A' ' 26' ' ' THR . 23.8 mt -59.09 -45.42 92.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -63.31 -24.94 68.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.598 ' O ' HG22 ' A' ' 34' ' ' VAL . 37.2 t60 -78.25 -30.12 48.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.797 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -62.2 -10.91 12.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.455 ' HA ' HG22 ' A' ' 36' ' ' THR . 98.4 mtt180 -67.58 -27.58 67.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.598 HG22 ' O ' ' A' ' 31' ' ' HIS . 5.3 m -78.14 -19.19 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.46 ' CE1' ' HB3' ' A' ' 18' ' ' CYS . 44.0 m-70 -90.21 -18.63 25.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.455 HG22 ' HA ' ' A' ' 33' ' ' ARG . 15.3 t -105.24 -26.88 11.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -105.19 52.85 0.69 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -119.02 145.49 45.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.899 0.381 . . . . 0.0 110.929 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.61 152.48 72.04 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.576 0.703 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 82.8 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.697 2.265 . . . . 0.0 112.351 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.9 m -113.27 -73.64 0.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.62 -159.38 25.34 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.499 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -20.74 34.43 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.67 2.247 . . . . 0.0 112.328 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.4 t -52.95 127.43 23.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.7 t -82.14 171.0 14.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.833 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 CA-C-O 119.171 -0.794 . . . . 0.0 112.501 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -116.12 154.73 29.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.825 0.345 . . . . 0.0 110.851 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.5 p -42.28 151.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.851 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.19 -136.36 8.12 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.448 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 m -62.39 153.52 30.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.823 0.344 . . . . 0.0 110.882 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 m -83.65 90.11 7.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.32 -42.17 63.56 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.522 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.3 p -102.17 134.07 46.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.803 0.335 . . . . 0.0 111.145 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.7 91.11 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.482 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -46.65 162.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.903 0.383 . . . . 0.0 110.85 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -116.61 156.1 48.05 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.567 0.698 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -0.38 6.88 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.676 2.251 . . . . 0.0 112.348 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -115.08 113.38 23.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -148.56 133.93 18.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.2 t -64.29 125.25 23.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -93.91 28.97 2.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -121.61 -38.17 2.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.2 p -128.53 -40.93 1.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.9 84.97 1.4 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.493 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.4 tttt -154.82 125.75 7.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.804 0.335 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.81 148.98 21.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -134.85 130.77 36.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.1 t -48.39 -46.17 36.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -107.5 158.39 17.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 85.6 m -72.71 -44.01 62.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 t -55.67 -28.29 54.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.156 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -71.26 -39.52 71.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.9 tp -68.02 -44.1 77.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 69.9 mt -58.9 -47.24 90.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.16 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.486 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 70.9 mm-40 -58.43 -41.34 84.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -61.58 -47.23 86.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -41.57 -27.72 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.486 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 32.1 mmt180 -42.37 -45.96 4.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.409 HG23 ' N ' ' A' ' 35' ' ' HIS . 8.2 m -49.73 -39.31 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.409 ' N ' HG23 ' A' ' 34' ' ' VAL . 37.3 m-70 -86.54 -33.68 20.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.48 76.31 1.7 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.42 -130.79 2.42 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.475 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -81.72 47.51 1.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.952 0.406 . . . . 0.0 110.859 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.93 144.85 44.05 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.611 0.72 . . . . 0.0 110.894 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 140.22 42.04 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.698 2.265 . . . . 0.0 112.316 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.4 m -112.87 79.5 1.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.84 146.08 17.15 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -50.51 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.702 2.268 . . . . 0.0 112.317 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.0 p -167.62 158.49 11.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.805 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.5 m -103.99 105.04 15.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.818 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.112 -0.826 . . . . 0.0 112.5 179.992 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -154.14 141.58 19.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 110.838 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.6 p -124.12 -6.98 7.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.864 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.96 120.98 4.27 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.521 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.0 t -77.99 104.82 8.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.84 0.352 . . . . 0.0 110.904 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.1 m -69.81 -48.96 57.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.855 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.32 59.65 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.492 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.8 m -106.41 43.25 1.16 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.834 0.35 . . . . 0.0 111.111 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.43 102.93 2.08 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.497 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -103.89 151.44 23.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.96 0.409 . . . . 0.0 110.863 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.442 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 0.5 OUTLIER -81.35 144.2 53.25 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.587 0.708 . . . . 0.0 110.904 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -3.22 11.57 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 2.242 . . . . 0.0 112.375 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -123.19 116.39 23.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.953 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -149.31 158.41 44.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 39.0 t -94.67 111.41 23.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.834 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.1 mtpt -71.23 -19.02 62.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -65.65 -53.07 46.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.4 p -112.18 -45.12 3.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.66 69.79 0.52 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.527 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.3 tttp -138.77 124.13 19.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.834 0.349 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.442 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -96.34 141.12 30.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -124.59 145.95 49.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.8 t -58.61 -45.37 89.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -113.37 141.25 47.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.94 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.1 m -53.39 -46.51 69.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.9 p -45.58 -40.2 8.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.177 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 43.4 m170 -61.79 -40.68 96.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.1 tp -71.07 -55.82 7.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 94.6 mt -42.93 -49.37 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.102 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -64.07 -43.01 96.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.98 ' O ' HG22 ' A' ' 34' ' ' VAL . 22.3 t60 -60.47 -41.28 93.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -48.36 -27.71 2.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -53.7 -38.29 64.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.98 HG22 ' O ' ' A' ' 31' ' ' HIS . 32.8 m -61.27 -11.2 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -116.12 21.13 13.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 39.3 p -108.54 -44.55 4.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.133 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.38 148.48 3.24 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -82.55 139.32 33.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.874 0.369 . . . . 0.0 110.892 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.9 mtpt -164.43 159.72 15.89 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.582 0.706 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -3.29 11.71 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.644 2.229 . . . . 0.0 112.384 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t -63.66 118.71 8.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.21 73.28 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.465 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -49.54 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.677 2.252 . . . . 0.0 112.331 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 t -165.34 162.22 19.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.836 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 80.9 p -122.28 -11.52 8.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.508 -179.992 . . . . . . . . 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 -0.311 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.1 p -92.5 100.8 13.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.922 0.391 . . . . 0.0 110.861 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -54.32 134.86 45.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.86 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.02 103.6 0.56 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.443 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.7 t -149.3 150.35 32.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 0.0 110.848 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.4 m -85.34 106.38 16.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.36 -52.59 3.93 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.544 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.7 t -38.8 129.15 1.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.849 0.357 . . . . 0.0 111.157 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 137.51 -68.11 0.52 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.475 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -106.4 112.86 26.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.931 0.396 . . . . 0.0 110.904 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.475 ' HE3' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -46.03 159.7 0.32 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.622 0.725 . . . . 0.0 110.883 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -0.04 6.32 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.692 2.261 . . . . 0.0 112.348 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.569 ' CD1' HG22 ' A' ' 25' ' ' THR . 5.6 m-85 -109.86 111.53 23.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -138.83 156.82 47.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 19' ' ' GLY . 8.5 t -93.15 78.67 4.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.414 ' HD2' ' C ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -43.23 -24.11 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' ' 15' ' ' CYS . 44.1 mm-40 -62.33 -52.54 63.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.828 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.3 p -112.05 -43.69 3.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 114.71 64.24 0.41 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.9 tttp -137.83 128.39 26.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.763 0.316 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.19 142.24 30.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.048 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.405 ' CE1' HD13 ' A' ' 28' ' ' LEU . 26.4 m-85 -122.39 154.18 38.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 87.9 p -73.95 -20.27 60.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.859 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -134.65 138.06 44.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.569 HG22 ' CD1' ' A' ' 13' ' ' TYR . 59.4 p -52.54 -51.48 59.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.147 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.5 p -50.0 -44.75 51.26 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.599 ' CD2' ' NE2' ' A' ' 30' ' ' GLN . 3.7 t-160 -60.39 -30.95 69.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.864 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.405 HD13 ' CE1' ' A' ' 22' ' ' PHE . 15.4 tp -76.76 -30.17 56.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.936 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.3 mt -74.9 -42.59 46.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.088 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.599 ' NE2' ' CD2' ' A' ' 27' ' ' HIS . 12.6 pt20 -54.77 -46.58 74.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.64 ' O ' HG22 ' A' ' 34' ' ' VAL . 24.3 t60 -58.6 -48.74 79.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.814 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 -40.22 -25.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 31' ' ' HIS . 12.4 mmm180 -52.6 -46.34 66.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.64 HG22 ' O ' ' A' ' 31' ' ' HIS . 22.5 m -57.41 -28.6 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 56.9 m-70 -78.5 -27.14 46.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.614 HG23 ' O ' ' A' ' 36' ' ' THR . 8.3 t -118.71 80.36 1.53 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.08 -33.63 1.23 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.476 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -123.06 15.45 9.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.92 0.391 . . . . 0.0 110.904 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.6 mmtm -67.76 155.33 91.75 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.569 0.7 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 41' ' ' SER . 53.8 Cg_endo -69.79 2.75 3.26 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.685 2.257 . . . . 0.0 112.339 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 40' ' ' PRO . 1.4 t -34.55 127.35 0.47 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -73.75 171.88 51.54 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.515 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.5 Cg_endo -69.8 2.21 3.76 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.686 2.258 . . . . 0.0 112.341 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 43' ' ' PRO . 23.7 t -34.57 -62.16 0.36 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.84 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.9 t -87.12 -65.76 0.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.84 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.451 179.997 . . . . . . . . 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 -0.33 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.1 p -76.65 167.39 21.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.911 0.386 . . . . 0.0 110.845 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.7 p -142.09 139.9 32.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.41 100.37 0.52 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.476 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.6 m -79.83 92.12 5.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.904 0.383 . . . . 0.0 110.874 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 t -108.61 102.44 11.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.31 124.33 2.85 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.4 m 52.55 44.7 29.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.854 0.359 . . . . 0.0 111.171 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -135.54 -173.99 13.23 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.513 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.1 pm0 -54.7 135.59 46.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.889 0.376 . . . . 0.0 110.926 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.655 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 2.6 mptt -79.77 147.84 67.63 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.588 0.709 . . . . 0.0 110.897 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -7.71 21.75 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.681 2.254 . . . . 0.0 112.359 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.555 ' CE1' ' HB ' ' A' ' 25' ' ' THR . 8.6 m-85 -123.95 108.21 12.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -137.33 139.49 40.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.5 t -67.15 123.12 19.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -91.19 31.87 1.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -126.55 -38.2 2.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.1 p -124.55 -42.45 2.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.51 65.76 0.46 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.499 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.1 tttp -135.75 122.71 21.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.826 0.346 . . . . 0.0 110.849 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.655 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -99.67 137.65 37.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.104 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -124.54 132.43 53.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.8 p -43.17 -49.39 6.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.552 ' HB3' HG22 ' A' ' 26' ' ' THR . 46.0 mt-30 -101.52 132.52 47.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.555 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 5.5 t -56.68 -37.91 71.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.552 HG22 ' HB3' ' A' ' 24' ' ' GLN . 4.6 t -55.96 -36.13 67.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.101 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.45 ' HD2' HG23 ' A' ' 26' ' ' THR . 8.7 m-70 -60.77 -39.85 90.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.848 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.1 tp -68.86 -32.64 72.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.7 mm -57.25 -46.85 85.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.145 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.1 mm100 -70.52 -41.31 72.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.769 ' O ' HG22 ' A' ' 34' ' ' VAL . 31.8 t60 -57.85 -44.66 86.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.846 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -45.01 -30.02 0.95 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.9 mmm-85 -52.76 -39.43 62.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.769 HG22 ' O ' ' A' ' 31' ' ' HIS . 14.4 m -57.45 -14.86 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.164 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.539 ' CD2' HG23 ' A' ' 34' ' ' VAL . 78.6 m-70 -118.94 -25.82 6.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 47.2 p -101.37 89.99 3.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.31 -33.91 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.488 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.6 tp10 -43.73 144.29 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.93 0.395 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.437 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 6.1 tttp 68.78 54.79 0.57 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.604 0.716 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.437 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.3 Cg_endo -69.75 96.49 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.667 2.245 . . . . 0.0 112.364 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.1 t -146.19 158.86 43.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 136.27 -165.37 24.96 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.52 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.45 ' O ' ' C ' ' A' ' 44' ' ' SER . 54.1 Cg_endo -69.76 2.57 3.41 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.712 2.275 . . . . 0.0 112.299 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 43' ' ' PRO . 31.0 m -34.54 138.26 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 44' ' ' SER . 48.8 m -36.42 149.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.438 -179.951 . . . . . . . . 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 -0.348 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.9 m 52.03 47.31 25.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.888 0.375 . . . . 0.0 110.838 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.5 m -122.6 172.75 8.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.4 149.77 6.08 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.51 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 t -144.03 154.32 43.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.901 0.381 . . . . 0.0 110.84 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.7 m -150.98 163.89 37.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.843 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.62 -53.85 0.45 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.45 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.6 p -96.26 95.81 8.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.359 . . . . 0.0 111.162 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.35 -175.36 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.516 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -129.39 174.97 9.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.904 0.383 . . . . 0.0 110.908 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.7 mtmm -66.65 143.92 98.36 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.616 0.722 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 0.17 6.0 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.704 2.27 . . . . 0.0 112.357 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.461 ' HB3' HD22 ' A' ' 28' ' ' LEU . 14.6 m-85 -120.75 120.08 34.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -150.59 135.38 17.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.1 t -69.23 118.46 12.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -87.52 30.49 0.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -123.05 -40.2 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.0 p -127.03 -40.48 1.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.92 71.62 0.52 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.1 ttmt -138.33 124.34 20.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.829 0.347 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.25 143.15 30.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.123 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.457 ' CD2' ' HB3' ' A' ' 27' ' ' HIS . 95.0 m-85 -131.37 135.92 47.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.4 m -57.33 -38.68 74.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -106.51 174.64 5.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.4 p -87.25 -41.49 13.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.183 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.418 ' H ' HG22 ' A' ' 26' ' ' THR . 0.8 OUTLIER -60.76 -31.05 70.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.457 ' HB3' ' CD2' ' A' ' 22' ' ' PHE . 15.6 m80 -70.86 -26.39 63.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.461 HD22 ' HB3' ' A' ' 13' ' ' TYR . 16.9 tp -85.88 -47.09 9.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 78.3 mt -59.19 -40.99 82.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.542 ' CG ' ' N ' ' A' ' 31' ' ' HIS . 4.2 pt20 -60.58 -50.65 72.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.563 ' O ' HG22 ' A' ' 34' ' ' VAL . 6.1 t60 -60.84 -40.83 94.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -45.53 -25.99 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -52.25 -41.75 63.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.563 HG22 ' O ' ' A' ' 31' ' ' HIS . 11.1 m -56.48 -14.8 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -111.31 24.12 13.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.4 p -120.13 -46.15 2.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -80.58 -84.65 0.68 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -63.56 158.24 21.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.907 0.384 . . . . 0.0 110.915 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -111.14 80.65 2.47 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.563 0.697 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 176.32 6.94 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.655 2.236 . . . . 0.0 112.32 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.2 t -130.19 151.26 50.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -179.38 178.39 48.68 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -38.34 7.98 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.698 2.266 . . . . 0.0 112.383 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.1 t -46.64 131.46 11.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 74.8 p -106.15 -43.4 4.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.841 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.485 -179.982 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.5 p -96.42 117.95 31.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.886 0.374 . . . . 0.0 110.84 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.7 m -129.91 82.01 2.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.53 133.99 7.74 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.461 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.9 m -111.26 145.62 38.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 0.0 110.866 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.8 t -120.67 123.37 42.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.828 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.16 108.72 1.88 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.535 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 56.6 m -76.87 -61.39 1.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.874 0.369 . . . . 0.0 111.142 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 56.71 88.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.5 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -89.7 84.56 6.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.897 0.38 . . . . 0.0 110.869 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.6 mmtt -146.73 149.19 35.74 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.618 0.723 . . . . 0.0 110.928 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 1.26 4.64 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.716 2.277 . . . . 0.0 112.321 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -120.7 116.38 25.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -144.54 157.16 44.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 19' ' ' GLY . 35.2 t -98.93 106.55 18.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -62.64 -25.83 68.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -56.11 -58.79 6.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.4 p -110.31 -40.18 4.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 109.39 63.8 0.54 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.479 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.2 tttm -131.06 128.66 40.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.789 0.328 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.18 139.84 34.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -124.05 137.15 54.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.844 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.5 m -58.04 -42.71 85.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.849 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -97.66 167.38 10.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 39.7 p -86.63 -47.8 8.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.156 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.7 t -57.12 -24.63 55.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -68.58 -41.49 79.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.7 tp -67.01 -50.95 60.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 59.9 mt -52.93 -44.68 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -67.62 -38.71 84.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.522 ' O ' HG22 ' A' ' 34' ' ' VAL . 10.4 t60 -60.68 -51.33 69.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.823 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -39.4 -29.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 31' ' ' HIS . 10.4 mmm180 -49.89 -46.61 51.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.522 HG22 ' O ' ' A' ' 31' ' ' HIS . 16.9 m -47.91 -25.87 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -92.56 -30.11 15.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.3 t -114.53 43.91 1.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.15 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 170.92 63.95 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.5 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -78.01 6.43 7.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.968 0.413 . . . . 0.0 110.919 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.476 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 59.0 tttm -115.58 139.4 24.69 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.624 0.726 . . . . 0.0 110.898 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.476 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 54.0 Cg_endo -69.74 177.85 5.15 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.687 2.258 . . . . 0.0 112.383 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.8 m -69.98 170.68 10.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.833 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.2 146.29 34.5 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.6 Cg_endo -69.76 2.21 3.74 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.644 2.229 . . . . 0.0 112.386 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 43' ' ' PRO . 22.5 p -35.48 124.1 0.65 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.3 t -85.3 -45.57 11.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.172 -0.793 . . . . 0.0 112.482 -179.943 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.1 m 62.94 42.38 7.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.887 0.375 . . . . 0.0 110.847 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 m -119.74 176.14 5.54 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.819 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.72 65.2 1.0 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.478 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.1 t -100.56 44.4 1.02 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.904 0.383 . . . . 0.0 110.834 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.9 p -56.86 112.38 1.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.18 113.99 0.64 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.459 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.39 80.02 2.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.879 0.371 . . . . 0.0 111.179 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 172.37 -91.88 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.451 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 66.53 36.46 4.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.913 0.387 . . . . 0.0 110.927 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.566 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 21.9 mmtt -95.86 150.18 37.01 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.56 0.695 . . . . 0.0 110.927 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -2.98 11.1 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.645 2.23 . . . . 0.0 112.355 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.402 ' CE1' ' HB ' ' A' ' 25' ' ' THR . 22.2 m-85 -126.84 112.42 15.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.945 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.523 ' O ' HD21 ' A' ' 28' ' ' LEU . 10.9 tt0 -136.17 159.29 42.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.0 t -97.51 119.67 36.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.3 mmtt -85.64 29.79 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -122.91 -33.31 3.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.6 p -129.86 -44.24 1.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.53 58.81 0.37 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -129.88 133.34 46.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.566 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -101.88 137.65 39.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.123 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -123.17 129.16 51.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 91.6 p -51.33 -40.35 58.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -104.27 146.33 28.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.433 HG23 ' N ' ' A' ' 26' ' ' THR . 7.4 t -66.2 -43.54 86.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.433 ' N ' HG23 ' A' ' 25' ' ' THR . 2.8 t -60.14 -27.46 67.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.136 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -67.26 -41.65 85.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.843 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.523 HD21 ' O ' ' A' ' 14' ' ' GLU . 43.8 tp -66.39 -52.06 50.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.1 mt -56.37 -45.5 81.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.489 ' HA ' ' CD ' ' A' ' 33' ' ' ARG . 45.0 mm-40 -62.54 -26.09 68.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.595 ' O ' HG13 ' A' ' 34' ' ' VAL . 9.2 t60 -81.07 -36.89 29.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -52.25 -20.92 2.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.636 ' O ' HG22 ' A' ' 36' ' ' THR . 1.4 mpt_? -59.1 -35.29 73.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.595 HG13 ' O ' ' A' ' 31' ' ' HIS . 2.3 m -59.95 -23.35 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.131 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -90.27 23.48 2.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.636 HG22 ' O ' ' A' ' 33' ' ' ARG . 9.0 t -86.58 37.41 0.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.82 -115.18 5.01 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 40.72 38.4 0.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.912 0.387 . . . . 0.0 110.874 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -100.2 153.68 37.63 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.529 0.681 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 112.12 3.0 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.659 2.239 . . . . 0.0 112.348 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.4 p -45.56 126.95 7.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.65 -95.06 0.1 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.514 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -42.18 3.67 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.723 2.282 . . . . 0.0 112.324 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.2 p -105.84 147.43 28.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.9 p -171.63 174.7 4.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 CA-C-O 119.088 -0.84 . . . . 0.0 112.522 -179.959 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 t -71.5 114.86 10.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.866 0.365 . . . . 0.0 110.821 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -142.35 112.67 7.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.01 136.15 4.67 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.456 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -148.0 135.94 21.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.94 0.4 . . . . 0.0 110.855 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.1 p -65.98 120.49 13.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.861 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.67 171.43 20.41 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.521 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.6 t -125.37 139.2 53.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.893 0.377 . . . . 0.0 111.112 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.5 175.88 28.56 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.438 ' C ' ' HE3' ' A' ' 11' ' ' LYS . 13.1 pt-20 -128.78 137.74 51.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.966 0.412 . . . . 0.0 110.859 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.444 ' HE3' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -85.52 154.39 59.23 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.599 0.714 . . . . 0.0 110.921 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 0.86 5.0 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.703 2.268 . . . . 0.0 112.376 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.549 ' CE1' ' HB ' ' A' ' 25' ' ' THR . 45.9 m-85 -135.92 127.81 29.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -157.13 131.84 8.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.5 t -62.45 118.34 7.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.87 40.2 0.89 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -133.31 -43.65 0.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.6 p -120.05 -40.15 2.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.51 65.71 0.46 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.482 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt -131.48 119.59 21.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.801 0.334 . . . . 0.0 110.918 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.85 134.74 42.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -120.33 153.63 36.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.6 t -60.49 -46.54 89.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -111.62 168.78 9.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.549 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 10.2 t -77.18 -41.74 40.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.171 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.675 ' HA ' HD12 ' A' ' 29' ' ' ILE . 5.9 t -54.87 -32.76 61.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 46.7 m170 -62.95 -44.98 94.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.6 tp -63.37 -43.42 97.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.675 HD12 ' HA ' ' A' ' 26' ' ' THR . 71.3 mt -52.0 -49.96 36.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -63.24 -40.72 98.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 33' ' ' ARG . 21.0 t60 -57.95 -45.81 86.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -42.57 -23.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 31' ' ' HIS . 82.6 mtt180 -52.05 -40.96 61.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.488 HG23 ' CE1' ' A' ' 35' ' ' HIS . 14.0 m -57.2 -16.82 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.488 ' CE1' HG23 ' A' ' 34' ' ' VAL . 48.5 m-70 -111.33 -32.76 6.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 38.0 p -40.43 -50.42 2.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.06 101.61 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.459 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 39' ' ' LYS . 26.4 tp10 -73.41 152.88 40.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.913 0.387 . . . . 0.0 110.874 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.432 ' N ' ' HG3' ' A' ' 38' ' ' GLU . 38.7 pttt -142.94 153.2 60.41 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.549 0.69 . . . . 0.0 110.908 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 0.84 5.04 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.652 2.235 . . . . 0.0 112.362 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.9 t -55.62 166.54 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.44 80.4 1.18 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.508 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -22.98 31.43 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.362 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.9 t -132.01 85.06 2.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 44.6 t 43.11 41.56 2.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.817 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 CA-C-O 119.094 -0.837 . . . . 0.0 112.514 -179.986 . . . . . . . . 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 -0.311 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.9 m -87.43 94.4 9.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.842 0.353 . . . . 0.0 110.905 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.0 t -89.05 -60.92 1.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.41 116.36 0.42 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.9 p -117.47 106.36 13.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.945 0.403 . . . . 0.0 110.867 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.3 m -83.9 156.74 22.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.853 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.67 -57.17 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.455 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 59.7 m -44.01 -53.04 6.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.354 . . . . 0.0 111.129 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.19 -131.46 10.66 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -169.1 174.87 6.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.91 0.386 . . . . 0.0 110.884 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.3 mmtp -76.17 151.27 83.65 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.591 0.71 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -4.81 14.8 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.72 2.28 . . . . 0.0 112.317 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.413 ' CE1' ' HB ' ' A' ' 25' ' ' THR . 26.6 m-85 -115.22 113.66 24.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -141.66 151.03 42.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 19' ' ' GLY . 5.2 t -87.93 89.73 8.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.867 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -55.21 -16.35 3.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -72.38 -52.6 15.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.3 p -111.85 -44.19 3.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 115.93 61.37 0.35 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.482 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.3 tttp -130.49 124.74 32.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.804 0.335 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.66 137.8 33.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -126.8 142.86 51.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.8 t -52.04 -46.57 65.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -113.11 160.44 18.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.413 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 9.8 t -69.4 -38.19 77.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.3 p -58.8 -33.89 70.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.421 ' HA ' ' CD ' ' A' ' 30' ' ' GLN . 18.0 m-70 -70.22 -21.87 62.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.4 tp -87.95 -44.21 11.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.952 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.6 mt -62.14 -38.27 80.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.471 ' HG3' ' N ' ' A' ' 31' ' ' HIS . 14.3 pt20 -59.85 -52.2 66.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.79 ' O ' HG22 ' A' ' 34' ' ' VAL . 12.8 t60 -60.35 -39.54 87.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -47.97 -20.55 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -57.66 -37.82 74.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.79 HG22 ' O ' ' A' ' 31' ' ' HIS . 28.4 m -66.01 -13.05 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -94.66 -25.54 16.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.694 HG23 ' O ' ' A' ' 36' ' ' THR . 8.8 t -125.7 83.97 2.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.114 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -164.8 -87.79 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -112.04 68.08 0.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.371 . . . . 0.0 110.854 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -146.22 138.2 13.43 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.553 0.692 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 97.15 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.655 2.237 . . . . 0.0 112.369 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.5 t -127.72 49.75 2.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.15 163.01 37.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -177.28 1.79 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.668 2.245 . . . . 0.0 112.393 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 54.9 p 41.7 45.71 3.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.6 t -44.24 -49.03 9.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.121 -0.822 . . . . 0.0 112.486 -179.994 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.9 t -107.84 153.72 22.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.868 0.366 . . . . 0.0 110.875 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.1 t -81.95 110.61 17.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.45 39.79 5.24 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.521 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.7 p -65.22 142.29 58.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.87 0.367 . . . . 0.0 110.867 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.4 p -135.96 144.05 45.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 8' ' ' THR . . . 124.72 -147.23 16.46 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.419 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 7' ' ' GLY . 74.8 p -36.44 115.33 0.35 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.857 0.361 . . . . 0.0 111.161 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.48 -154.13 11.65 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -151.8 123.74 8.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.945 0.402 . . . . 0.0 110.853 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -45.65 143.98 2.79 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.587 0.708 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.562 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.72 -3.02 11.14 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.694 2.263 . . . . 0.0 112.342 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.562 ' CE2' ' HG2' ' A' ' 12' ' ' PRO . 9.5 m-85 -131.47 126.01 33.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.917 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -151.24 145.17 25.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.2 t -79.12 113.3 17.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.5 tttt -83.26 36.88 0.53 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -126.69 -40.09 1.94 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.6 p -130.21 -39.23 1.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.86 73.44 0.53 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.443 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.4 tttt -141.91 130.32 22.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.822 0.344 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.45 144.34 27.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -132.59 128.8 37.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.3 t -56.42 -38.23 71.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -111.27 148.69 32.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.3 m -60.97 -50.95 71.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.457 HG23 ' N ' ' A' ' 27' ' ' HIS . 9.9 t -52.76 -43.53 65.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.105 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.457 ' N ' HG23 ' A' ' 26' ' ' THR . 9.8 m80 -58.05 -28.16 64.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.5 tp -79.04 -36.99 40.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 51.8 mt -68.17 -41.63 84.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.144 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.44 ' NE2' ' HA ' ' A' ' 27' ' ' HIS . 12.4 pt20 -57.12 -46.98 82.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.916 ' O ' HG22 ' A' ' 34' ' ' VAL . 11.9 t60 -58.86 -38.69 79.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.447 ' O ' HG23 ' A' ' 36' ' ' THR . 32.6 mm-40 -50.43 -23.7 2.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.408 ' HE ' HG21 ' A' ' 36' ' ' THR . 16.1 mmp_? -56.43 -29.42 61.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.916 HG22 ' O ' ' A' ' 31' ' ' HIS . 33.2 m -71.95 -8.76 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -109.61 -18.83 13.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 32' ' ' GLN . 24.9 p -72.99 -54.23 9.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.57 71.35 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.52 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -95.94 57.5 1.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.89 0.376 . . . . 0.0 110.894 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -124.63 147.0 54.43 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.624 0.726 . . . . 0.0 110.848 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 2.4 3.57 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.682 2.255 . . . . 0.0 112.353 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.0 m -163.97 162.12 23.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 130.66 146.31 5.88 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.472 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 109.63 2.35 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.717 2.278 . . . . 0.0 112.342 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.5 m -138.69 166.07 25.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.861 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.4 m -54.36 -61.66 2.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.803 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.079 -0.845 . . . . 0.0 112.494 -179.955 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.7 m 44.08 43.04 5.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.888 0.375 . . . . 0.0 110.906 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 t -86.96 72.2 10.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.893 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.63 107.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.505 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 t -69.05 151.24 46.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.871 0.367 . . . . 0.0 110.856 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -117.03 142.14 47.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.62 92.54 0.53 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.475 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.9 t -97.15 -38.77 9.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.815 0.341 . . . . 0.0 111.125 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.99 106.04 2.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.25 173.91 1.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.901 0.381 . . . . 0.0 110.883 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.427 ' NZ ' ' HB3' ' A' ' 23' ' ' SER . 7.9 mmmm -134.21 156.08 79.38 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.569 0.699 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.4 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.8 0.37 5.77 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.656 2.237 . . . . 0.0 112.318 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.4 ' CE2' ' HG2' ' A' ' 12' ' ' PRO . 26.2 m-85 -141.44 112.58 7.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.48 ' CG ' ' O ' ' A' ' 20' ' ' LYS . 18.5 tt0 -140.44 132.59 28.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.6 t -63.07 118.96 8.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -84.3 27.09 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -115.53 -34.96 4.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.9 p -130.54 -46.84 1.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.48 26.38 0.88 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.429 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.48 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 5.4 tptp -86.57 159.85 19.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.769 0.318 . . . . 0.0 110.934 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.44 141.75 50.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.118 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.479 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 18.9 m-85 -139.29 126.1 20.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.427 ' HB3' ' NZ ' ' A' ' 11' ' ' LYS . 53.6 p -58.68 -34.65 71.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.419 ' HB2' ' ND1' ' A' ' 27' ' ' HIS . 14.2 mm100 -104.74 150.41 24.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.8 p -65.93 -54.49 25.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.0 t -50.46 -32.79 18.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.481 ' HA ' ' NE2' ' A' ' 30' ' ' GLN . 31.7 m170 -68.42 -27.67 66.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.485 ' O ' HD12 ' A' ' 28' ' ' LEU . 13.1 tp -81.73 -28.96 33.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.9 mt -75.76 -41.5 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.489 ' HG3' ' N ' ' A' ' 31' ' ' HIS . 24.6 pt20 -58.9 -47.87 83.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.748 ' O ' HG22 ' A' ' 34' ' ' VAL . 8.1 t60 -65.4 -38.47 90.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.821 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -50.76 -25.45 4.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 50.2 mtp85 -55.47 -27.79 50.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.748 HG22 ' O ' ' A' ' 31' ' ' HIS . 18.1 m -68.35 -17.46 22.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.171 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.506 ' CD2' HG23 ' A' ' 34' ' ' VAL . 47.0 m-70 -115.51 -20.57 10.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.0 p -104.21 56.42 0.72 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -88.33 142.17 17.21 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.527 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -110.83 130.13 55.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.913 0.387 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.4 mttt -100.68 143.78 27.23 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.62 0.724 . . . . 0.0 110.823 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -8.68 24.21 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.698 2.266 . . . . 0.0 112.363 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.1 t -74.34 140.58 44.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -90.78 -81.66 1.4 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 134.92 29.16 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.647 2.231 . . . . 0.0 112.35 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.2 t -138.47 133.52 32.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.807 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 97.0 p -155.05 173.54 16.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.846 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.157 -0.801 . . . . 0.0 112.496 -179.954 . . . . . . . . 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 -0.352 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.1 m -70.49 108.4 4.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.901 0.381 . . . . 0.0 110.852 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.1 t -93.78 147.54 22.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.851 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.89 161.91 12.6 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.479 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.8 t -131.2 112.72 13.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.895 0.379 . . . . 0.0 110.878 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 t -130.85 109.38 10.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.887 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.16 93.83 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.482 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 54.4 p -135.91 139.89 43.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.855 0.359 . . . . 0.0 111.13 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.99 67.57 0.74 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.555 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.406 ' CD ' ' H ' ' A' ' 10' ' ' GLU . 3.4 mp0 -94.3 1.92 55.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.902 0.382 . . . . 0.0 110.875 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.51 145.98 95.79 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.584 0.707 . . . . 0.0 110.928 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 2.68 3.31 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.726 2.284 . . . . 0.0 112.325 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.453 ' CE1' ' HB ' ' A' ' 25' ' ' THR . 36.0 m-85 -123.94 121.92 36.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -151.01 140.31 21.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.1 t -78.64 80.72 5.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.6 mtpt -46.71 -20.69 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -60.51 -59.24 5.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.4 p -112.74 -39.07 4.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.03 72.98 0.44 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.507 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.541 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 0.7 OUTLIER -138.47 116.79 11.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.761 0.315 . . . . 0.0 110.895 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.13 133.22 37.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.089 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.569 ' CD1' ' HB3' ' A' ' 27' ' ' HIS . 97.7 m-85 -124.25 149.78 46.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.8 t -63.16 -40.78 98.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -113.95 142.25 46.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.453 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 9.9 t -52.18 -41.38 62.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.148 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.423 ' N ' HG23 ' A' ' 25' ' ' THR . 7.5 t -56.59 -41.64 77.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.569 ' HB3' ' CD1' ' A' ' 22' ' ' PHE . 6.6 m-70 -59.57 -21.8 60.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.878 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.4 tp -87.56 -46.64 9.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 73.3 mt -62.32 -36.55 75.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.493 ' CD ' ' N ' ' A' ' 31' ' ' HIS . 1.6 pp0? -61.99 -51.32 68.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.981 ' O ' HG22 ' A' ' 34' ' ' VAL . 7.1 t60 -58.62 -41.34 85.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -42.89 -25.33 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -56.29 -42.96 78.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.981 HG22 ' O ' ' A' ' 31' ' ' HIS . 26.2 m -52.29 -21.82 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -89.36 -33.2 16.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.9 t -109.28 39.13 2.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.167 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -72.9 156.99 52.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.51 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -90.65 49.64 1.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.949 0.404 . . . . 0.0 110.918 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -108.5 72.86 0.45 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.561 0.696 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 124.81 11.47 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.709 2.273 . . . . 0.0 112.333 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.7 m -115.05 144.97 42.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 136.44 83.05 0.13 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.467 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -8.8 24.52 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.694 2.263 . . . . 0.0 112.345 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.6 m -48.06 -50.9 26.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.8 p -112.12 -45.65 3.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.496 180.0 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.6 m -97.08 -61.89 1.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.938 0.399 . . . . 0.0 110.831 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.2 p -69.81 119.35 13.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.861 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.68 115.77 1.32 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 m -75.6 -43.89 45.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.85 0.357 . . . . 0.0 110.847 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t 64.02 42.14 5.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.882 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.97 66.25 0.27 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.9 p -114.24 -47.33 2.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.821 0.343 . . . . 0.0 111.139 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 126.1 145.45 6.39 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.481 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -76.33 116.16 16.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.882 0.372 . . . . 0.0 110.887 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.408 ' HA ' ' HD2' ' A' ' 12' ' ' PRO . 6.2 mtmp? -133.0 88.08 38.0 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.535 0.683 . . . . 0.0 110.93 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 11' ' ' LYS . 54.0 Cg_endo -69.77 2.52 3.46 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.657 2.238 . . . . 0.0 112.347 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.593 ' CE1' HG22 ' A' ' 25' ' ' THR . 22.9 m-85 -113.41 112.33 23.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -138.88 156.54 47.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.9 t -83.81 122.67 28.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.1 mttt -87.85 34.59 0.72 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -127.42 -38.02 1.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.2 p -126.75 -41.83 1.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.75 67.25 0.47 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.9 tttt -132.86 122.62 24.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.772 0.32 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.91 139.35 31.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -128.82 146.19 50.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.7 p -86.06 -2.39 58.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -127.76 116.41 20.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.94 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.593 HG22 ' CE1' ' A' ' 13' ' ' TYR . 27.6 p -45.36 -49.97 12.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.175 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.7 t -56.33 -34.32 66.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.148 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -60.62 -46.08 91.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.826 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.1 tp -61.79 -48.92 78.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.4 mt -59.83 -41.77 86.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -72.37 -32.11 66.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.578 ' O ' HG22 ' A' ' 34' ' ' VAL . 25.2 t60 -62.24 -46.26 89.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -47.23 -23.77 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -56.56 -42.66 78.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.578 HG22 ' O ' ' A' ' 31' ' ' HIS . 6.2 m -54.96 -24.7 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -87.55 14.02 9.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.462 HG23 ' N ' ' A' ' 37' ' ' GLY . 14.6 t -73.83 -42.28 61.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.462 ' N ' HG23 ' A' ' 36' ' ' THR . . . -73.09 159.4 53.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.493 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.406 ' C ' ' HG2' ' A' ' 39' ' ' LYS . 31.2 tt0 -89.04 72.39 8.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.914 0.388 . . . . 0.0 110.904 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.406 ' HG2' ' C ' ' A' ' 38' ' ' GLU . 40.9 mmtm -151.52 141.02 14.12 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.551 0.691 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -8.06 22.63 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.714 2.276 . . . . 0.0 112.348 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 95.7 p -45.83 122.17 3.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 168.32 144.88 4.34 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 126.13 12.97 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.721 2.281 . . . . 0.0 112.343 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.7 p -90.12 -47.84 7.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.856 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 80.3 p -64.63 164.6 11.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.853 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 CA-C-O 119.1 -0.834 . . . . 0.0 112.495 179.981 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_