data_2enh_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 2enh _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 ' 13' ' ' TYR . . . . . 0.515 ' CZ ' ' HB2' ' A' ' 25' ' ' HIS . 28.7 m-85 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.827 0.346 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -140.29 129.01 23.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.8 t -64.82 129.13 38.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -84.85 23.4 1.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.822 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.3 t -125.88 -54.65 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.126 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.2 p -110.49 -1.33 17.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.468 ' HD3' ' N ' ' A' ' 19' ' ' ARG . 1.9 mpp_? 60.59 47.37 8.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -85.22 169.55 13.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.31 128.58 41.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -124.34 162.97 22.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.893 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 31.5 p -89.69 -45.93 8.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.411 ' NE2' ' HB1' ' A' ' 26' ' ' ALA . 39.0 t60 -98.23 155.75 17.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 13' ' ' TYR . 19.7 t-160 -64.94 -55.39 19.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.411 ' HB1' ' NE2' ' A' ' 24' ' ' HIS . . . -47.79 -48.97 30.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.8 m -43.17 -29.62 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.8 tp -79.44 -54.86 5.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.444 HG23 ' N ' ' A' ' 30' ' ' GLN . 2.7 t -58.83 -22.37 58.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.444 ' N ' HG23 ' A' ' 29' ' ' THR . 8.9 tp60 -84.95 -46.8 10.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.489 ' O ' ' N ' ' A' ' 33' ' ' ARG . 11.1 t60 -57.97 -45.87 86.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 31' ' ' HIS . 46.0 mt-30 -36.53 -30.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 31' ' ' HIS . 45.6 mtt-85 -48.36 -53.4 17.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 21.3 m -38.76 -26.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' A' ' 33' ' ' ARG . 38.8 m-70 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.515 ' CZ ' ' HB3' ' A' ' 25' ' ' HIS . 47.9 m-85 . . . . . 0 CA--C 1.526 0.05 0 CA-C-O 120.855 0.359 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -149.98 141.96 23.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.845 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.9 t -83.56 133.66 34.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.816 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -91.1 26.59 2.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 82.3 t -131.69 -43.63 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -118.09 -7.21 10.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? 61.71 46.94 6.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -97.55 142.45 29.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.91 133.89 51.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -121.48 157.61 30.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.7 t -77.46 -47.78 18.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.569 ' CE1' ' HB3' ' A' ' 27' ' ' SER . 0.8 OUTLIER -104.59 178.15 4.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.515 ' HB3' ' CZ ' ' A' ' 13' ' ' TYR . 14.9 p80 -87.41 -55.74 3.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.838 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.434 ' H ' ' CG ' ' A' ' 25' ' ' HIS . . . -40.42 -24.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.569 ' HB3' ' CE1' ' A' ' 24' ' ' HIS . 25.4 p -69.61 -47.07 64.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 55.2 tp -73.33 -54.38 8.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.4 t -42.88 -37.57 1.88 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.167 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.0 tm0? -83.75 -63.23 1.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.452 ' O ' ' C ' ' A' ' 32' ' ' GLN . 8.5 t60 -39.5 -57.36 1.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 31' ' ' HIS . 10.2 mm-40 -34.49 -39.35 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 35' ' ' HIS . 71.1 mtp180 -44.48 -55.7 4.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.413 ' C ' ' O ' ' A' ' 33' ' ' ARG . 35.9 m -36.36 -32.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.427 ' N ' ' O ' ' A' ' 33' ' ' ARG . 28.2 m-70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.818 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.565 ' CE2' ' N ' ' A' ' 25' ' ' HIS . 2.5 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.828 0.347 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -135.34 140.52 45.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -77.21 173.56 11.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -113.13 -49.16 2.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.441 ' HB ' ' CD2' ' A' ' 35' ' ' HIS . 98.5 t -61.3 -57.9 10.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.144 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.4 p -93.04 -23.13 18.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 39.7 mmm-85 64.24 50.64 2.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 48.1 tttp -97.24 150.7 20.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.94 130.07 49.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -119.32 164.67 15.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.3 p -113.36 36.36 3.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 25' ' ' HIS . 3.1 t-160 -170.65 112.54 0.41 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.837 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.565 ' N ' ' CE2' ' A' ' 13' ' ' TYR . 18.1 p80 -37.74 -43.13 0.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.837 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.82 -52.22 64.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.07 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.9 t -43.96 -28.1 0.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.0 tp -83.2 -53.67 5.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.967 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.4 t -59.32 -18.18 35.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -94.41 -54.54 3.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.458 ' O ' ' N ' ' A' ' 33' ' ' ARG . 7.8 t60 -51.43 -42.97 61.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.822 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -40.14 -25.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' HIS . 49.9 mtp85 -50.81 -45.74 59.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.821 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 20.3 m -43.86 -37.58 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.441 ' CD2' ' HB ' ' A' ' 17' ' ' VAL . 42.7 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.449 ' C ' ' OE1' ' A' ' 14' ' ' GLU . 24.2 m-85 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.864 0.364 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.449 ' OE1' ' C ' ' A' ' 13' ' ' TYR . 1.4 mp0 -134.05 158.0 44.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.1 t -95.1 133.63 38.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -87.33 24.87 1.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.424 HG13 ' CG ' ' A' ' 35' ' ' HIS . 98.0 t -131.55 -49.69 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.075 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.4 p -112.34 -5.14 14.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 59.37 48.35 10.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -106.99 135.8 47.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.22 138.79 31.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.079 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -124.95 147.27 48.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.9 m -63.98 -47.52 80.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.844 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -115.67 147.16 41.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.818 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.472 ' O ' ' N ' ' A' ' 28' ' ' LEU . 5.9 t-80 -53.44 -58.73 6.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 25' ' ' HIS . . . -33.94 -53.5 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.062 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -48.66 -43.76 36.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.868 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 25' ' ' HIS . 15.7 tp -76.25 -42.69 44.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.909 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.1 m -55.22 -48.62 73.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.161 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -74.03 -46.79 41.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -49.22 -41.03 35.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -44.13 -28.95 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 51.9 mtm180 -55.63 -46.94 77.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.557 HG21 ' CE1' ' A' ' 35' ' ' HIS . 32.6 m -40.75 -28.68 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.557 ' CE1' HG21 ' A' ' 34' ' ' VAL . 22.1 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.85 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.434 ' CE1' ' HB3' ' A' ' 25' ' ' HIS . 26.0 m-85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.844 0.354 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -153.45 147.81 25.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.2 t -72.79 174.21 8.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -113.39 -30.04 7.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 93.3 t -83.07 -51.3 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.6 p -109.26 2.12 20.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 42.32 43.81 3.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -81.65 143.09 32.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.39 141.18 28.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.085 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.446 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 60.1 m-85 -133.31 -33.78 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.1 m 59.58 31.29 20.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.872 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.412 ' O ' ' N ' ' A' ' 27' ' ' SER . 2.1 t-80 -165.18 110.16 0.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.434 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 28.4 p-80 -43.45 -45.3 6.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.835 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.433 ' N ' ' CG ' ' A' ' 25' ' ' HIS . . . -63.6 -31.68 72.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.446 ' CB ' ' HB3' ' A' ' 22' ' ' PHE . 53.8 m -73.42 -30.92 63.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.881 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.3 tp -83.48 -45.28 13.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 t -54.92 -34.28 62.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.173 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.423 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 55.2 mt-30 -78.67 -54.2 6.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.485 ' O ' ' N ' ' A' ' 33' ' ' ARG . 38.7 t60 -52.34 -51.55 58.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -38.55 -27.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.485 ' N ' ' O ' ' A' ' 31' ' ' HIS . 3.0 mmp_? -54.12 -47.15 72.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 29.8 m -52.06 -18.08 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 50.5 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.893 0.377 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -173.32 142.31 0.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.3 t -73.91 178.13 5.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -117.15 -43.9 2.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.407 HG13 ' ND1' ' A' ' 35' ' ' HIS . 97.7 t -65.39 -49.08 80.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.157 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.9 p -105.36 -23.06 12.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? 65.18 49.6 1.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 37.9 tttp -95.08 155.29 16.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.18 149.5 21.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.089 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 23.1 m-85 -144.86 156.69 44.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.4 m -77.1 -56.64 4.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 15.4 t-80 -107.39 162.91 13.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.449 ' O ' ' C ' ' A' ' 26' ' ' ALA . 28.6 t60 -60.86 -56.34 22.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 25' ' ' HIS . . . -33.59 -61.99 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 t -40.85 -43.97 2.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 25' ' ' HIS . 15.8 tp -76.06 -42.09 48.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.96 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.3 m -58.67 -59.07 5.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.186 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -60.45 -47.68 85.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 33' ' ' ARG . 30.1 t60 -52.17 -52.21 53.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -37.23 -28.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' HIS . 26.3 mmm180 -51.23 -50.23 59.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.448 HG22 ' N ' ' A' ' 35' ' ' HIS . 28.9 m -43.88 -24.78 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.448 ' N ' HG22 ' A' ' 34' ' ' VAL . 47.5 m-70 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.824 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.439 ' CZ ' ' HB3' ' A' ' 25' ' ' HIS . 39.4 m-85 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.846 0.355 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -154.86 144.51 21.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -69.17 179.64 1.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -121.55 -49.06 2.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 99.5 t -62.11 -51.35 73.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.098 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.6 p -99.69 -20.88 16.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 62.91 50.5 3.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.4 tttp -92.73 150.23 20.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.45 143.19 29.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.1 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -137.0 149.32 47.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.5 t -88.37 -45.25 10.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -100.95 124.35 46.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.439 ' HB3' ' CZ ' ' A' ' 13' ' ' TYR . 36.9 p-80 -41.04 -43.94 2.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.85 -53.04 44.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.067 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.0 m -41.44 -29.48 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 44.2 tp -81.89 -58.85 2.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.426 HG23 ' N ' ' A' ' 30' ' ' GLN . 1.4 t -50.66 -21.25 1.5 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.108 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.426 ' N ' HG23 ' A' ' 29' ' ' THR . 18.1 mt-30 -92.72 -52.04 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 33' ' ' ARG . 11.1 t60 -58.28 -47.3 84.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -38.23 -28.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.962 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 31' ' ' HIS . 57.8 mtp180 -49.45 -54.0 19.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.549 HG22 ' CE1' ' A' ' 35' ' ' HIS . 26.1 m -40.42 -26.06 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.549 ' CE1' HG22 ' A' ' 34' ' ' VAL . 16.8 m-70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.832 0.349 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.424 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 21.5 tt0 -174.76 147.76 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.424 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 1.8 t -86.4 122.26 30.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.446 ' O ' ' NH1' ' A' ' 19' ' ' ARG . 2.1 t70 -80.86 14.08 2.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.455 HG12 ' CG ' ' A' ' 35' ' ' HIS . 96.6 t -117.0 -39.44 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.6 p -121.03 -5.39 9.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 16' ' ' ASP . 8.1 mpt_? 62.27 43.53 8.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.818 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -91.34 -180.0 5.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.43 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -135.37 147.66 49.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.43 ' CD1' ' C ' ' A' ' 21' ' ' ALA . 14.6 m-85 -141.09 171.96 13.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.0 t -106.18 -44.07 4.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.851 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -95.91 120.72 36.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -38.77 -55.92 1.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 28' ' ' LEU . . . -51.0 -53.53 32.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 68.6 m -38.81 -28.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 26' ' ' ALA . 43.6 tp -79.37 -56.37 4.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.429 HG21 ' N ' ' A' ' 30' ' ' GLN . 4.1 t -56.89 -20.13 21.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.429 ' N ' HG21 ' A' ' 29' ' ' THR . 28.1 mt-30 -90.24 -35.54 15.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -67.66 -50.59 57.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 33' ' ' ARG . 29.4 mt-30 -39.84 -35.9 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 32' ' ' GLN . 16.3 mmt180 -37.78 -53.75 1.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.429 HG21 ' CE1' ' A' ' 35' ' ' HIS . 17.9 m -37.46 -44.16 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.455 ' CG ' HG12 ' A' ' 17' ' ' VAL . 19.6 m-70 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.659 ' CE1' ' CB ' ' A' ' 25' ' ' HIS . 7.2 m-85 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.861 0.362 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.453 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 23.6 tt0 -149.08 149.46 31.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.453 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 49.1 t -89.84 129.13 36.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -85.27 24.41 1.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.0 t -128.36 -48.86 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.101 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.6 p -113.18 -8.66 13.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.4 mmt85 61.94 48.5 5.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -100.33 127.9 46.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.42 146.59 25.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -133.14 149.0 52.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.7 t -68.42 -54.52 16.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -97.94 166.42 11.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.659 ' CB ' ' CE1' ' A' ' 13' ' ' TYR . 6.6 p80 -75.26 -44.08 47.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.859 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.485 ' N ' ' CG ' ' A' ' 25' ' ' HIS . . . -51.64 -52.72 45.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -42.62 -28.55 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.0 tp -79.32 -58.41 3.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.407 HG22 ' N ' ' A' ' 30' ' ' GLN . 1.4 t -52.79 -19.9 2.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.16 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.45 ' C ' ' OE1' ' A' ' 30' ' ' GLN . 1.4 tm0? -89.96 -51.51 5.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.48 ' O ' ' N ' ' A' ' 33' ' ' ARG . 4.5 t60 -52.63 -45.48 66.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 31' ' ' HIS . 42.6 mm-40 -35.49 -32.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 31' ' ' HIS . 21.2 mtp85 -48.71 -53.98 16.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.8 m -39.08 -26.55 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.133 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' ' 33' ' ' ARG . 67.4 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.822 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.553 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 4.4 m-85 . . . . . 0 N--CA 1.458 -0.035 0 CA-C-O 120.873 0.368 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.446 ' CD ' ' O ' ' A' ' 15' ' ' CYS . 5.9 tm-20 -142.48 117.84 10.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.861 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.446 ' O ' ' CD ' ' A' ' 14' ' ' GLU . 3.3 t -43.28 166.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -106.12 -34.28 7.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.408 ' HB ' ' CD2' ' A' ' 35' ' ' HIS . 77.7 t -80.44 -62.85 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.106 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.0 p -85.41 -20.84 29.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.22 45.4 6.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.2 tttt -92.34 157.09 16.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.54 144.07 31.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -132.79 157.05 45.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 m -79.59 -46.24 17.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.573 ' CE1' ' HB2' ' A' ' 27' ' ' SER . 0.6 OUTLIER -110.04 140.52 43.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.89 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.553 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 43.8 t-80 -48.76 -51.58 28.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 28' ' ' LEU . . . -44.62 -58.46 3.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.573 ' HB2' ' CE1' ' A' ' 24' ' ' HIS . 1.1 t -38.22 -26.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.834 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 26' ' ' ALA . 30.1 tp -82.22 -58.62 2.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.3 t -52.49 -29.23 23.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -79.26 -59.54 2.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 33' ' ' ARG . 11.3 t60 -53.5 -48.39 69.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' A' ' 31' ' ' HIS . 56.3 mt-30 -34.3 -34.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 31' ' ' HIS . 14.4 mtp85 -41.59 -49.45 4.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.453 HG21 ' N ' ' A' ' 35' ' ' HIS . 23.8 m -41.32 -40.81 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.453 ' N ' HG21 ' A' ' 34' ' ' VAL . 44.7 m-70 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.479 ' CD1' ' HA ' ' A' ' 25' ' ' HIS . 11.9 m-85 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.877 0.37 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -123.31 137.24 54.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.9 t -74.75 131.05 40.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -87.0 19.72 2.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.43 HG11 ' CE1' ' A' ' 35' ' ' HIS . 97.8 t -120.11 -54.13 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.4 p -109.64 -5.17 15.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.444 ' N ' ' HD2' ' A' ' 19' ' ' ARG . 4.9 mpt_? 62.46 48.25 4.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.881 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -91.25 -178.04 5.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.98 136.8 42.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.573 ' CD1' HD11 ' A' ' 28' ' ' LEU . 39.6 m-85 -132.63 149.98 52.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.9 m -74.72 -53.02 10.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.855 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -93.17 145.48 24.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.498 ' CG ' ' N ' ' A' ' 26' ' ' ALA . 26.9 p-80 -55.14 -47.05 75.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.498 ' N ' ' CG ' ' A' ' 25' ' ' HIS . . . -57.86 -50.09 74.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 m -41.61 -24.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.573 HD11 ' CD1' ' A' ' 22' ' ' PHE . 57.6 tp -86.59 -54.14 4.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.476 HG23 ' N ' ' A' ' 30' ' ' GLN . 5.0 t -59.64 -28.41 67.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.135 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.476 ' N ' HG23 ' A' ' 29' ' ' THR . 3.1 pt20 -74.39 -39.74 62.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.476 ' O ' ' N ' ' A' ' 33' ' ' ARG . 6.6 t60 -72.31 -45.9 58.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 31' ' ' HIS . 73.8 mt-30 -34.47 -34.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.885 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 35' ' ' HIS . 46.5 mtp180 -47.32 -50.32 22.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.427 HG23 ' N ' ' A' ' 35' ' ' HIS . 34.9 m -38.58 -27.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.48 ' N ' ' O ' ' A' ' 33' ' ' ARG . 41.3 m-70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.507 ' CD2' ' HA ' ' A' ' 25' ' ' HIS . 29.4 m-85 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.848 0.356 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 60.8 tt0 -153.54 146.85 24.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.863 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.9 t -74.95 179.04 5.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -121.45 -21.3 6.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 97.1 t -90.87 -44.88 14.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.16 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.1 p -115.43 -2.58 12.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.4 mmt85 50.47 46.52 25.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.5 tttm -79.81 170.99 15.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.03 140.8 49.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.082 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.561 ' CE1' HD11 ' A' ' 28' ' ' LEU . 55.2 m-85 -136.78 167.22 21.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.3 p -123.0 35.55 4.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 25' ' ' HIS . 4.2 t-80 -172.65 115.37 0.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.507 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . 3.0 t-160 -34.44 -49.45 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.51 -47.08 80.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.072 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 24' ' ' HIS . 14.8 m -48.74 -19.16 0.33 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.561 HD11 ' CE1' ' A' ' 22' ' ' PHE . 46.6 tp -88.2 -53.47 4.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.479 ' CG2' ' N ' ' A' ' 30' ' ' GLN . 1.4 t -58.91 -42.66 90.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.479 ' N ' ' CG2' ' A' ' 29' ' ' THR . 9.6 pt20 -56.18 -40.89 74.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.422 ' N ' ' HG3' ' A' ' 30' ' ' GLN . 11.9 t60 -73.7 -48.45 31.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -38.58 -31.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -48.27 -46.68 36.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.466 HG23 ' CE1' ' A' ' 35' ' ' HIS . 31.6 m -44.13 -39.55 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.466 ' CE1' HG23 ' A' ' 34' ' ' VAL . 32.5 m-70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.872 0.368 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -154.56 120.41 5.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.6 t -52.39 169.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -117.29 -29.98 5.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 94.7 t -75.8 -36.31 32.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.105 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.45 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 19.5 p -119.11 -17.54 8.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.6 mmt85 66.43 35.36 5.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.45 ' CG ' ' SG ' ' A' ' 18' ' ' CYS . 4.0 mmtm -73.76 178.76 4.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.4 ' C ' ' CG ' ' A' ' 22' ' ' PHE . . . -123.5 145.37 48.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.144 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.497 ' CD2' ' HB2' ' A' ' 28' ' ' LEU . 20.6 m-85 -156.08 113.28 3.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 82.6 p -56.98 -42.5 80.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.847 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 19.5 t-160 -105.5 127.46 53.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 28' ' ' LEU . 2.0 t-80 -42.51 -57.95 2.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.467 ' C ' ' O ' ' A' ' 25' ' ' HIS . . . -32.56 -59.32 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.124 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.6 m -43.59 -43.76 5.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.497 ' HB2' ' CD2' ' A' ' 22' ' ' PHE . 12.8 tp -76.41 -42.85 42.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.2 m -54.65 -47.72 73.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -74.34 -37.45 63.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.432 ' O ' ' N ' ' A' ' 33' ' ' ARG . 5.6 t60 -59.85 -47.28 86.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.808 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 31' ' ' HIS . 11.9 mm100 -37.29 -31.95 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.882 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 35' ' ' HIS . 71.7 mtp180 -50.25 -49.18 53.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.484 HG22 ' CE1' ' A' ' 35' ' ' HIS . 17.1 m -40.53 -26.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.484 ' CE1' HG22 ' A' ' 34' ' ' VAL . 20.8 m-70 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.492 ' CE1' ' HB3' ' A' ' 25' ' ' HIS . 65.4 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.837 0.351 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -163.86 141.9 7.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.9 t -82.07 124.54 29.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -82.93 18.64 1.56 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.7 t -118.65 -49.89 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.147 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.9 p -114.46 -4.5 12.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.42 ' HD3' ' N ' ' A' ' 19' ' ' ARG . 1.4 mpp_? 61.89 53.95 2.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.493 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 14.1 tttp -101.42 138.41 38.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.52 141.02 36.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.073 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.493 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 15.6 m-85 -137.09 179.43 6.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.8 m -93.57 -58.96 2.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -101.93 176.08 5.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.518 ' CG ' ' N ' ' A' ' 26' ' ' ALA . 5.9 p80 -77.31 -53.45 7.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.518 ' N ' ' CG ' ' A' ' 25' ' ' HIS . . . -37.85 -39.92 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 95.3 p -61.02 -50.66 72.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.6 tp -68.45 -43.89 76.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.9 m -60.43 -51.62 68.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.489 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 10.7 mm100 -65.49 -32.37 73.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 32' ' ' GLN . 9.5 t60 -63.53 -55.43 23.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 31' ' ' HIS . 53.7 mt-30 -37.64 -33.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.489 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 11.3 mmt180 -40.79 -44.78 2.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.437 HG22 ' N ' ' A' ' 35' ' ' HIS . 20.6 m -50.21 -46.04 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.437 ' N ' HG22 ' A' ' 34' ' ' VAL . 46.1 m-70 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.793 0.33 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.417 ' N ' HD21 ' A' ' 28' ' ' LEU . 23.2 mt-10 -148.86 161.07 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.9 t -98.4 145.58 26.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -89.55 20.49 3.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 99.8 t -133.62 -60.1 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.0 p -103.99 4.84 34.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.7 mmt85 50.03 36.88 12.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -82.74 130.07 35.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.32 136.32 33.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.108 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.555 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 20.9 m-85 -126.73 133.06 50.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.1 m -62.34 -47.36 84.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.436 ' O ' ' C ' ' A' ' 25' ' ' HIS . 4.0 t-160 -100.95 121.96 42.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 26' ' ' ALA . 24.9 t60 -34.49 -63.68 0.29 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 29' ' ' THR . . . -34.12 -65.59 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 26' ' ' ALA . 18.8 m -37.02 -43.23 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.819 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.555 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 14.6 tp -74.09 -41.26 61.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.881 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 26' ' ' ALA . 2.7 m -66.09 -60.09 3.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -54.54 -40.86 69.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.484 ' CE1' HG21 ' A' ' 34' ' ' VAL . 8.1 t60 -53.55 -47.15 70.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 31' ' ' HIS . 26.5 mm100 -34.61 -34.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 31' ' ' HIS . 37.8 mtp180 -43.37 -56.22 3.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.484 HG21 ' CE1' ' A' ' 31' ' ' HIS . 35.3 m -34.22 -45.61 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.175 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.477 ' CE1' HG23 ' A' ' 34' ' ' VAL . 23.8 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.844 0.354 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -137.5 148.18 45.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -82.95 132.39 35.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -81.57 16.83 1.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.4 t -126.19 -55.66 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 19' ' ' ARG . 26.5 p -116.57 20.72 13.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 18' ' ' CYS . 0.8 OUTLIER 37.36 55.01 1.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.465 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 26.7 tttt -93.8 131.28 39.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.0 138.83 31.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.056 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.465 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 49.0 m-85 -135.21 174.55 10.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 90.7 p -92.57 -55.91 3.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.832 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.568 ' CD2' ' HB2' ' A' ' 26' ' ' ALA . 6.0 t60 -115.35 142.04 47.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.47 ' O ' ' C ' ' A' ' 26' ' ' ALA . 26.4 t60 -36.63 -59.41 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.568 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . . . -31.79 -68.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 26' ' ' ALA . 0.9 OUTLIER -36.84 -46.24 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.858 -179.802 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.412 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 13.7 tp -73.29 -40.06 64.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 26' ' ' ALA . 18.5 m -61.59 -57.14 13.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.178 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -58.69 -38.59 78.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.511 ' CE1' HG21 ' A' ' 34' ' ' VAL . 25.0 t60 -61.46 -50.51 72.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 31' ' ' HIS . 25.1 mt-30 -34.28 -36.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 31' ' ' HIS . 17.0 mtt-85 -42.62 -55.68 3.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.511 HG21 ' CE1' ' A' ' 31' ' ' HIS . 34.6 m -35.38 -40.45 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.138 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.49 ' CE1' HG23 ' A' ' 34' ' ' VAL . 28.1 m-70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.538 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 27.9 m-85 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.772 0.32 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -128.73 146.58 50.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.7 t -83.13 131.09 35.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.93 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.29 19.97 2.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.412 HG11 ' CG ' ' A' ' 35' ' ' HIS . 61.3 t -123.43 -44.89 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -117.22 -6.15 11.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? 61.42 46.14 7.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.3 mttt -96.83 174.74 6.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.49 136.77 53.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.076 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.408 ' CE1' HD11 ' A' ' 28' ' ' LEU . 27.6 m-85 -130.76 114.3 15.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.7 p -41.65 -51.57 4.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -99.51 164.61 12.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.808 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.538 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 52.6 t60 -77.11 -51.14 11.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.43 -39.63 33.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.155 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 55.3 m -57.05 -27.77 61.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.843 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.408 HD11 ' CE1' ' A' ' 22' ' ' PHE . 19.4 tp -86.16 -52.81 5.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.441 HG23 ' N ' ' A' ' 30' ' ' GLN . 1.4 t -51.85 -26.32 9.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.131 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.441 ' N ' HG23 ' A' ' 29' ' ' THR . 25.9 mt-30 -88.09 -50.74 6.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.492 ' CE1' HG23 ' A' ' 34' ' ' VAL . 12.1 t60 -48.92 -44.27 40.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 31' ' ' HIS . 25.3 mt-30 -37.85 -27.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 31' ' ' HIS . 10.7 mtm105 -53.06 -49.32 66.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.492 HG23 ' CE1' ' A' ' 31' ' ' HIS . 9.0 m -42.62 -28.5 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.108 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.412 ' CG ' HG11 ' A' ' 17' ' ' VAL . 45.7 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.458 ' CE1' ' HB3' ' A' ' 25' ' ' HIS . 25.9 m-85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.833 0.349 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -134.06 130.16 37.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.8 t -62.49 172.14 1.68 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -108.13 -42.01 4.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.45 ' HB ' ' CD2' ' A' ' 35' ' ' HIS . 93.3 t -71.16 -65.48 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.2 p -82.89 -25.16 32.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 52.0 mmm-85 65.91 46.86 2.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.0 tttm -97.47 156.37 16.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.05 146.55 27.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -140.28 158.9 43.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.7 t -73.37 -62.45 1.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.474 ' CD2' ' HD1' ' A' ' 25' ' ' HIS . 6.3 t-160 -106.54 143.58 34.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.479 ' CG ' ' N ' ' A' ' 26' ' ' ALA . 51.9 p-80 -43.0 -54.19 4.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.479 ' N ' ' CG ' ' A' ' 25' ' ' HIS . . . -33.61 -66.85 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 26' ' ' ALA . 1.3 t -36.93 -46.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.6 tp -72.49 -41.71 65.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.404 ' N ' ' O ' ' A' ' 26' ' ' ALA . 8.4 m -59.34 -55.98 27.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.205 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -63.09 -40.16 96.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.445 ' O ' ' C ' ' A' ' 32' ' ' GLN . 11.4 t60 -58.39 -49.27 77.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 31' ' ' HIS . 43.2 mt-30 -34.5 -36.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 31' ' ' HIS . 32.9 mtp85 -41.15 -55.95 2.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.453 HG23 ' CE1' ' A' ' 35' ' ' HIS . 35.1 m -39.11 -40.07 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.453 ' CE1' HG23 ' A' ' 34' ' ' VAL . 17.3 m-70 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.464 ' CE2' ' CB ' ' A' ' 25' ' ' HIS . 83.1 m-85 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.837 0.351 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -135.75 151.14 49.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.497 ' SG ' ' NE2' ' A' ' 32' ' ' GLN . 12.3 t -87.69 131.95 34.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -84.1 24.97 0.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.811 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.572 HG13 ' CE1' ' A' ' 35' ' ' HIS . 67.7 t -130.6 -49.83 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.411 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 17.0 p -113.39 -4.59 13.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 65.62 34.55 7.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.475 ' HE3' ' CZ ' ' A' ' 22' ' ' PHE . 14.1 mmmt -70.31 178.85 2.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -150.29 128.36 11.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.086 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.475 ' CZ ' ' HE3' ' A' ' 20' ' ' LYS . 14.4 m-85 -131.04 175.51 9.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.8 p -91.72 -61.18 1.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -85.77 150.19 24.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.464 ' CB ' ' CE2' ' A' ' 13' ' ' TYR . 19.6 p-80 -60.27 -39.35 86.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 28' ' ' LEU . . . -57.12 -56.64 19.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.6 m -39.82 -29.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 26' ' ' ALA . 44.9 tp -83.31 -62.75 1.51 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.942 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.401 ' CG2' ' N ' ' A' ' 30' ' ' GLN . 1.5 t -46.43 -38.37 8.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.131 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.401 ' N ' ' CG2' ' A' ' 29' ' ' THR . 53.3 mt-30 -75.38 -30.1 60.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 33' ' ' ARG . 2.5 t60 -73.49 -52.93 11.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.497 ' NE2' ' SG ' ' A' ' 15' ' ' CYS . 14.7 mm-40 -33.92 -33.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -43.38 -49.18 7.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.468 HG22 ' N ' ' A' ' 35' ' ' HIS . 33.2 m -35.79 -33.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.572 ' CE1' HG13 ' A' ' 17' ' ' VAL . 31.5 m-70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.833 0.349 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -155.93 149.21 24.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.6 t -76.88 128.73 35.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -84.75 27.01 0.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 95.0 t -131.99 -48.62 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -112.88 -8.25 13.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 63.59 48.23 3.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -98.82 148.81 23.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.75 144.1 27.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.081 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.53 ' CE1' HD13 ' A' ' 28' ' ' LEU . 88.5 m-85 -134.49 133.73 40.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.2 m -53.31 -39.97 64.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.477 ' CE1' ' OG ' ' A' ' 27' ' ' SER . 1.2 p80 -135.59 175.51 9.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.843 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.433 ' O ' ' N ' ' A' ' 28' ' ' LEU . 7.5 p80 -70.46 -54.6 11.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.82 -36.35 1.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.477 ' OG ' ' CE1' ' A' ' 24' ' ' HIS . 1.8 m -67.46 -35.79 79.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.53 HD13 ' CE1' ' A' ' 22' ' ' PHE . 21.9 tp -82.02 -52.59 6.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.949 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 t -46.65 -37.09 7.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -76.89 -52.49 9.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 32' ' ' GLN . 3.1 t60 -52.14 -49.87 62.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 31' ' ' HIS . 29.8 mm-40 -34.7 -46.24 0.28 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 34' ' ' VAL . 2.1 mpt_? -41.05 -48.73 3.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.549 HG23 ' CE1' ' A' ' 35' ' ' HIS . 33.8 m -33.81 -37.94 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.174 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.549 ' CE1' HG23 ' A' ' 34' ' ' VAL . 22.9 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 p -83.01 90.73 7.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.91 0.386 . . . . 0.0 110.868 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -124.4 -50.58 1.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.71 114.23 4.82 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.499 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.3 p -139.14 139.62 37.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.925 0.393 . . . . 0.0 110.849 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 7' ' ' GLY . 92.7 p -92.34 42.15 1.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 37.54 46.61 1.54 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.531 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 7' ' ' GLY . 76.2 p -36.99 -44.05 0.49 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.801 0.334 . . . . 0.0 111.099 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -165.98 138.38 5.19 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.485 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -111.66 -13.65 13.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.88 0.371 . . . . 0.0 110.869 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -146.19 148.33 34.6 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.614 0.721 . . . . 0.0 110.904 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.505 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.3 Cg_endo -69.78 -11.74 31.44 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.687 2.258 . . . . 0.0 112.356 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.515 ' CZ ' ' HB2' ' A' ' 25' ' ' HIS . 28.7 m-85 -136.57 119.46 16.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -140.29 129.01 23.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.8 t -64.82 129.13 38.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -84.85 23.4 1.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.822 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.3 t -125.88 -54.65 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.126 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.2 p -110.49 -1.33 17.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.468 ' HD3' ' N ' ' A' ' 19' ' ' ARG . 1.9 mpp_? 60.59 47.37 8.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -85.22 169.55 13.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.31 128.58 41.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -124.34 162.97 22.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.893 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 31.5 p -89.69 -45.93 8.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.411 ' NE2' ' HB1' ' A' ' 26' ' ' ALA . 39.0 t60 -98.23 155.75 17.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 13' ' ' TYR . 19.7 t-160 -64.94 -55.39 19.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.411 ' HB1' ' NE2' ' A' ' 24' ' ' HIS . . . -47.79 -48.97 30.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.8 m -43.17 -29.62 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.8 tp -79.44 -54.86 5.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.444 HG23 ' N ' ' A' ' 30' ' ' GLN . 2.7 t -58.83 -22.37 58.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.444 ' N ' HG23 ' A' ' 29' ' ' THR . 8.9 tp60 -84.95 -46.8 10.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.489 ' O ' ' N ' ' A' ' 33' ' ' ARG . 11.1 t60 -57.97 -45.87 86.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 31' ' ' HIS . 46.0 mt-30 -36.53 -30.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 31' ' ' HIS . 45.6 mtt-85 -48.36 -53.4 17.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 21.3 m -38.76 -26.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' A' ' 33' ' ' ARG . 38.8 m-70 -101.95 139.6 37.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.6 t -62.28 -53.74 50.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.49 163.04 6.65 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.447 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.7 mp0 -96.85 81.33 3.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.859 0.362 . . . . 0.0 110.886 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -139.07 144.17 39.86 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.613 0.721 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 166.38 27.87 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.687 2.258 . . . . 0.0 112.313 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.5 t -68.1 129.48 40.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -107.76 -171.01 21.82 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.463 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 99.55 0.75 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.685 2.257 . . . . 0.0 112.343 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.9 p -52.11 150.05 4.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 t -81.02 158.02 25.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 CA-C-O 119.15 -0.805 . . . . 0.0 112.478 -179.907 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.9 p -162.89 131.82 4.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.361 . . . . 0.0 110.856 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.2 p -134.49 156.01 49.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.59 63.44 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 t -124.75 111.93 16.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.942 0.401 . . . . 0.0 110.872 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.3 m -105.07 84.18 2.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.859 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.51 -118.7 1.1 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.456 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.6 t -64.34 149.45 48.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.791 0.329 . . . . 0.0 111.203 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 173.18 176.68 41.88 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.488 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -106.19 -24.16 12.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.919 0.39 . . . . 0.0 110.893 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.2 mttm -111.08 80.99 2.53 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.602 0.715 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.443 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 54.2 Cg_endo -69.71 2.56 3.4 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.7 2.267 . . . . 0.0 112.35 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.515 ' CZ ' ' HB3' ' A' ' 25' ' ' HIS . 47.9 m-85 -111.55 127.61 55.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -149.98 141.96 23.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.845 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.9 t -83.56 133.66 34.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.816 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -91.1 26.59 2.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 82.3 t -131.69 -43.63 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -118.09 -7.21 10.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? 61.71 46.94 6.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -97.55 142.45 29.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.91 133.89 51.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -121.48 157.61 30.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.7 t -77.46 -47.78 18.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.569 ' CE1' ' HB3' ' A' ' 27' ' ' SER . 0.8 OUTLIER -104.59 178.15 4.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.515 ' HB3' ' CZ ' ' A' ' 13' ' ' TYR . 14.9 p80 -87.41 -55.74 3.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.838 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.434 ' H ' ' CG ' ' A' ' 25' ' ' HIS . . . -40.42 -24.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.569 ' HB3' ' CE1' ' A' ' 24' ' ' HIS . 25.4 p -69.61 -47.07 64.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 55.2 tp -73.33 -54.38 8.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.4 t -42.88 -37.57 1.88 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.167 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.0 tm0? -83.75 -63.23 1.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.452 ' O ' ' C ' ' A' ' 32' ' ' GLN . 8.5 t60 -39.5 -57.36 1.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 31' ' ' HIS . 10.2 mm-40 -34.49 -39.35 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 35' ' ' HIS . 71.1 mtp180 -44.48 -55.7 4.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.413 ' C ' ' O ' ' A' ' 33' ' ' ARG . 35.9 m -36.36 -32.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.427 ' N ' ' O ' ' A' ' 33' ' ' ARG . 28.2 m-70 -89.41 106.03 18.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.818 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.2 m -79.71 91.04 5.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.85 -178.06 12.78 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.45 ' O ' ' CD ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -101.64 40.93 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.929 0.395 . . . . 0.0 110.909 -179.845 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -164.15 143.91 6.33 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.526 0.679 . . . . 0.0 110.94 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -7.33 20.78 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.655 2.237 . . . . 0.0 112.37 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.5 m 56.67 41.62 28.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.821 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 130.83 162.63 10.72 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.488 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -24.91 29.33 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.666 2.244 . . . . 0.0 112.365 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 85.2 p 43.15 41.99 3.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.0 m -103.23 128.79 50.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.86 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.169 -0.795 . . . . 0.0 112.472 -179.978 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.7 m -39.49 -44.34 1.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.881 0.372 . . . . 0.0 110.848 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.3 p -91.52 106.15 18.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.812 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.41 114.13 0.59 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -147.36 148.65 31.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 0.0 110.848 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.5 m -115.65 137.16 52.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.06 -76.5 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.6 m 67.35 37.28 3.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 0.0 111.143 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.59 87.7 0.89 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.528 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.42 ' C ' ' HD2' ' A' ' 11' ' ' LYS . 32.7 mt-10 -103.61 -24.25 13.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.968 0.413 . . . . 0.0 110.913 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.42 ' HD2' ' C ' ' A' ' 10' ' ' GLU . 1.5 mptp? -140.29 147.02 48.26 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.545 0.688 . . . . 0.0 110.885 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.404 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.4 Cg_endo -69.82 -2.43 10.2 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.684 2.256 . . . . 0.0 112.312 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.565 ' CE2' ' N ' ' A' ' 25' ' ' HIS . 2.5 m-85 -113.57 106.52 14.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -135.34 140.52 45.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -77.21 173.56 11.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -113.13 -49.16 2.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.441 ' HB ' ' CD2' ' A' ' 35' ' ' HIS . 98.5 t -61.3 -57.9 10.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.144 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.4 p -93.04 -23.13 18.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 39.7 mmm-85 64.24 50.64 2.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 48.1 tttp -97.24 150.7 20.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.94 130.07 49.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -119.32 164.67 15.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.3 p -113.36 36.36 3.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 25' ' ' HIS . 3.1 t-160 -170.65 112.54 0.41 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.837 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.565 ' N ' ' CE2' ' A' ' 13' ' ' TYR . 18.1 p80 -37.74 -43.13 0.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.837 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.82 -52.22 64.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.07 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.9 t -43.96 -28.1 0.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.0 tp -83.2 -53.67 5.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.967 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.4 t -59.32 -18.18 35.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -94.41 -54.54 3.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.458 ' O ' ' N ' ' A' ' 33' ' ' ARG . 7.8 t60 -51.43 -42.97 61.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.822 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -40.14 -25.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' HIS . 49.9 mtp85 -50.81 -45.74 59.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.821 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 20.3 m -43.86 -37.58 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.441 ' CD2' ' HB ' ' A' ' 17' ' ' VAL . 42.7 m-70 -93.06 126.15 38.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 39.0 p -117.49 108.5 15.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.11 89.92 0.18 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.504 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.8 tm-20 -75.04 -3.59 33.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.911 0.386 . . . . 0.0 110.896 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.7 pttm -116.34 80.78 10.15 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.562 0.696 . . . . 0.0 110.952 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -43.21 2.81 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 93.0 p -122.15 148.56 44.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.816 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.55 -158.67 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -8.03 22.55 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.344 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 92.4 p -48.02 127.16 11.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.7 m -127.0 179.09 5.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.141 -0.81 . . . . 0.0 112.508 -179.96 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -116.3 109.24 17.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 110.84 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.8 p -40.13 152.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.841 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.87 -66.93 2.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.447 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.8 p 38.42 42.63 0.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.833 0.349 . . . . 0.0 110.861 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.5 p -67.0 -53.56 30.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.98 141.73 6.27 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.548 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 80.5 p -118.74 135.94 54.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.785 0.326 . . . . 0.0 111.138 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 137.21 -159.63 24.77 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.502 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -96.52 42.18 1.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.945 0.402 . . . . 0.0 110.901 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.533 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 11.4 ptmt -124.81 49.01 2.85 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.582 0.706 . . . . 0.0 110.876 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.3 Cg_endo -69.72 1.53 4.33 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.711 2.274 . . . . 0.0 112.358 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.449 ' C ' ' OE1' ' A' ' 14' ' ' GLU . 24.2 m-85 -120.02 121.96 40.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.449 ' OE1' ' C ' ' A' ' 13' ' ' TYR . 1.4 mp0 -134.05 158.0 44.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.1 t -95.1 133.63 38.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -87.33 24.87 1.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.424 HG13 ' CG ' ' A' ' 35' ' ' HIS . 98.0 t -131.55 -49.69 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.075 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.4 p -112.34 -5.14 14.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 59.37 48.35 10.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -106.99 135.8 47.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.22 138.79 31.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.079 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -124.95 147.27 48.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.9 m -63.98 -47.52 80.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.844 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -115.67 147.16 41.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.818 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.472 ' O ' ' N ' ' A' ' 28' ' ' LEU . 5.9 t-80 -53.44 -58.73 6.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 25' ' ' HIS . . . -33.94 -53.5 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.062 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -48.66 -43.76 36.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.868 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 25' ' ' HIS . 15.7 tp -76.25 -42.69 44.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.909 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.1 m -55.22 -48.62 73.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.161 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -74.03 -46.79 41.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -49.22 -41.03 35.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -44.13 -28.95 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 51.9 mtm180 -55.63 -46.94 77.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.557 HG21 ' CE1' ' A' ' 35' ' ' HIS . 32.6 m -40.75 -28.68 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.557 ' CE1' HG21 ' A' ' 34' ' ' VAL . 22.1 m-70 -98.29 76.84 2.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.85 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 37' ' ' GLY . 1.1 t -82.14 -70.21 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.822 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 36' ' ' SER . . . 35.73 81.6 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.497 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -94.79 37.13 1.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.935 0.398 . . . . 0.0 110.873 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.9 mtmm -163.18 144.09 7.35 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.539 0.685 . . . . 0.0 110.931 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 101.16 0.87 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.639 2.226 . . . . 0.0 112.37 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.4 m -125.47 -55.27 1.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.821 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.79 -90.15 1.43 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 135.49 30.69 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.638 2.225 . . . . 0.0 112.347 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.8 t -94.34 -60.54 1.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.7 m -61.81 -43.81 98.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 CA-C-O 119.112 -0.827 . . . . 0.0 112.472 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.8 m -150.01 157.84 43.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.889 0.376 . . . . 0.0 110.835 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.1 p -89.82 162.78 15.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.896 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.68 162.85 17.87 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.488 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 t -157.05 137.69 13.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.907 0.384 . . . . 0.0 110.863 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.9 p -51.15 -44.55 61.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.842 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.57 107.64 0.57 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.9 m -75.71 83.74 2.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.806 0.336 . . . . 0.0 111.169 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -177.04 76.58 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.464 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 11' ' ' LYS . 5.3 tp10 -102.57 -26.92 13.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 0.0 110.887 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 10' ' ' GLU . 2.1 mptp? -35.26 144.86 0.22 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.556 0.693 . . . . 0.0 110.923 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.54 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.8 -16.3 37.32 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.717 2.278 . . . . 0.0 112.376 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.54 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 26.0 m-85 -131.02 130.98 44.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -153.45 147.81 25.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.2 t -72.79 174.21 8.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -113.39 -30.04 7.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 93.3 t -83.07 -51.3 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.6 p -109.26 2.12 20.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 42.32 43.81 3.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -81.65 143.09 32.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.39 141.18 28.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.085 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.446 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 60.1 m-85 -133.31 -33.78 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.1 m 59.58 31.29 20.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.872 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.412 ' O ' ' N ' ' A' ' 27' ' ' SER . 2.1 t-80 -165.18 110.16 0.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.434 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 28.4 p-80 -43.45 -45.3 6.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.835 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.433 ' N ' ' CG ' ' A' ' 25' ' ' HIS . . . -63.6 -31.68 72.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.446 ' CB ' ' HB3' ' A' ' 22' ' ' PHE . 53.8 m -73.42 -30.92 63.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.881 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.3 tp -83.48 -45.28 13.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 t -54.92 -34.28 62.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.173 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.423 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 55.2 mt-30 -78.67 -54.2 6.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.485 ' O ' ' N ' ' A' ' 33' ' ' ARG . 38.7 t60 -52.34 -51.55 58.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -38.55 -27.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.485 ' N ' ' O ' ' A' ' 31' ' ' HIS . 3.0 mmp_? -54.12 -47.15 72.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 29.8 m -52.06 -18.08 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.445 ' O ' ' C ' ' A' ' 36' ' ' SER . 50.5 m-70 -107.36 80.96 1.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 35' ' ' HIS . 23.0 m -34.62 130.09 0.4 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.63 121.19 1.09 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.479 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 51.4 45.11 28.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.912 0.387 . . . . 0.0 110.898 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -134.32 151.18 75.85 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.546 0.689 . . . . 0.0 110.921 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 159.73 52.37 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.677 2.252 . . . . 0.0 112.376 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.0 t -128.73 -74.57 0.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 131.23 -91.04 0.29 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.452 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 100.67 0.84 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.651 2.234 . . . . 0.0 112.319 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.2 p -69.16 85.03 0.36 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.845 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 t -137.44 146.89 44.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.106 -0.83 . . . . 0.0 112.515 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 1' ' ' GLY . 25.1 p 35.64 42.19 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.849 0.357 . . . . 0.0 110.887 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.4 m -46.73 -48.85 20.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.823 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.41 76.32 1.22 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.461 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.4 p -116.4 109.85 17.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.843 0.354 . . . . 0.0 110.893 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.7 m -102.27 123.13 45.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.13 -47.52 1.02 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.508 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.8 p -72.73 105.33 4.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.811 0.339 . . . . 0.0 111.151 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.94 -168.78 28.37 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.439 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -65.47 129.98 41.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.913 0.387 . . . . 0.0 110.897 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.0 mttt -130.06 79.25 73.31 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.501 0.667 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.554 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.1 Cg_endo -69.76 -18.0 37.25 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.664 2.243 . . . . 0.0 112.377 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.554 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 28.4 m-85 -116.81 150.08 38.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -173.32 142.31 0.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.3 t -73.91 178.13 5.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -117.15 -43.9 2.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.407 HG13 ' ND1' ' A' ' 35' ' ' HIS . 97.7 t -65.39 -49.08 80.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.157 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.9 p -105.36 -23.06 12.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? 65.18 49.6 1.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 37.9 tttp -95.08 155.29 16.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.18 149.5 21.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.089 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 23.1 m-85 -144.86 156.69 44.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.4 m -77.1 -56.64 4.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 15.4 t-80 -107.39 162.91 13.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.449 ' O ' ' C ' ' A' ' 26' ' ' ALA . 28.6 t60 -60.86 -56.34 22.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 25' ' ' HIS . . . -33.59 -61.99 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 t -40.85 -43.97 2.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 25' ' ' HIS . 15.8 tp -76.06 -42.09 48.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.96 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.3 m -58.67 -59.07 5.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.186 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -60.45 -47.68 85.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 33' ' ' ARG . 30.1 t60 -52.17 -52.21 53.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -37.23 -28.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' HIS . 26.3 mmm180 -51.23 -50.23 59.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.448 HG22 ' N ' ' A' ' 35' ' ' HIS . 28.9 m -43.88 -24.78 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.448 ' N ' HG22 ' A' ' 34' ' ' VAL . 47.5 m-70 -101.83 147.13 26.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.824 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 37' ' ' GLY . 81.2 p -127.54 90.0 3.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 36' ' ' SER . . . 34.68 48.71 0.7 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -88.08 132.36 34.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.913 0.387 . . . . 0.0 110.85 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.35 152.01 39.79 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.542 0.687 . . . . 0.0 110.922 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 114.86 3.86 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.627 2.218 . . . . 0.0 112.361 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.7 m -119.81 -58.39 1.89 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 126.9 85.03 0.52 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.504 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 167.08 25.48 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.696 2.264 . . . . 0.0 112.344 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.8 t -108.89 142.36 39.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 59.7 p -81.53 140.68 34.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.84 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.091 -0.838 . . . . 0.0 112.504 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.4 p -139.87 136.02 33.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.917 0.389 . . . . 0.0 110.838 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 4' ' ' GLY . 70.4 m -102.99 42.07 1.19 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.828 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 35.75 75.41 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.502 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 t -150.51 112.63 4.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.911 0.386 . . . . 0.0 110.842 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.5 t -101.76 -57.02 2.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.31 41.35 3.24 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.484 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 42.1 p -145.48 129.75 17.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.81 0.338 . . . . 0.0 111.131 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 131.25 -102.91 0.53 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.47 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.2 mp0 -86.53 149.75 24.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.965 0.412 . . . . 0.0 110.873 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.615 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 28.4 mttt 55.4 43.98 1.48 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.581 0.705 . . . . 0.0 110.863 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.615 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.74 2.83 3.17 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.679 2.253 . . . . 0.0 112.355 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.503 ' CE2' ' HG2' ' A' ' 12' ' ' PRO . 39.4 m-85 -121.84 129.16 52.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -154.86 144.51 21.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -69.17 179.64 1.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -121.55 -49.06 2.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 99.5 t -62.11 -51.35 73.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.098 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.6 p -99.69 -20.88 16.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 62.91 50.5 3.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.4 tttp -92.73 150.23 20.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.45 143.19 29.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.1 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -137.0 149.32 47.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.5 t -88.37 -45.25 10.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -100.95 124.35 46.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.439 ' HB3' ' CZ ' ' A' ' 13' ' ' TYR . 36.9 p-80 -41.04 -43.94 2.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.85 -53.04 44.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.067 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.0 m -41.44 -29.48 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 44.2 tp -81.89 -58.85 2.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.426 HG23 ' N ' ' A' ' 30' ' ' GLN . 1.4 t -50.66 -21.25 1.5 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.108 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.426 ' N ' HG23 ' A' ' 29' ' ' THR . 18.1 mt-30 -92.72 -52.04 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 33' ' ' ARG . 11.1 t60 -58.28 -47.3 84.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -38.23 -28.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.962 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 31' ' ' HIS . 57.8 mtp180 -49.45 -54.0 19.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.549 HG22 ' CE1' ' A' ' 35' ' ' HIS . 26.1 m -40.42 -26.06 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.549 ' CE1' HG22 ' A' ' 34' ' ' VAL . 16.8 m-70 -106.28 78.4 1.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 t -144.18 152.56 41.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -71.65 115.65 5.7 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.439 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -100.83 161.91 13.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.928 0.394 . . . . 0.0 110.874 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -112.28 79.49 2.94 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.58 0.705 . . . . 0.0 110.94 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -18.16 37.26 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.687 2.258 . . . . 0.0 112.383 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.9 p -158.92 146.55 17.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.832 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 159.22 -158.64 29.69 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.513 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 167.05 25.55 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.668 2.245 . . . . 0.0 112.325 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.3 t -80.34 48.49 1.03 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.1 m -148.44 108.69 4.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.866 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.478 -179.961 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.6 p -106.42 159.54 16.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.914 0.387 . . . . 0.0 110.866 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.4 p -80.95 45.69 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.814 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.08 -42.42 94.54 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.485 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.0 p -94.39 91.59 6.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.867 0.365 . . . . 0.0 110.892 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.4 m -108.3 96.38 6.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.885 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.53 -139.82 11.05 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.9 m -121.32 140.72 51.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.816 0.341 . . . . 0.0 111.149 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -168.55 85.92 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.542 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -121.8 175.49 6.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.859 0.361 . . . . 0.0 110.907 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -174.68 155.9 2.09 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.594 0.712 . . . . 0.0 110.897 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.553 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.4 Cg_endo -69.67 -24.85 29.61 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.698 2.265 . . . . 0.0 112.391 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.553 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 2.4 m-85 -138.34 156.04 47.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.968 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.424 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 21.5 tt0 -174.76 147.76 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.424 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 1.8 t -86.4 122.26 30.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.446 ' O ' ' NH1' ' A' ' 19' ' ' ARG . 2.1 t70 -80.86 14.08 2.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.455 HG12 ' CG ' ' A' ' 35' ' ' HIS . 96.6 t -117.0 -39.44 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.6 p -121.03 -5.39 9.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 16' ' ' ASP . 8.1 mpt_? 62.27 43.53 8.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.818 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -91.34 -180.0 5.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.43 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -135.37 147.66 49.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.43 ' CD1' ' C ' ' A' ' 21' ' ' ALA . 14.6 m-85 -141.09 171.96 13.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.0 t -106.18 -44.07 4.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.851 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -95.91 120.72 36.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -38.77 -55.92 1.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 28' ' ' LEU . . . -51.0 -53.53 32.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 68.6 m -38.81 -28.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 26' ' ' ALA . 43.6 tp -79.37 -56.37 4.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.429 HG21 ' N ' ' A' ' 30' ' ' GLN . 4.1 t -56.89 -20.13 21.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.429 ' N ' HG21 ' A' ' 29' ' ' THR . 28.1 mt-30 -90.24 -35.54 15.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -67.66 -50.59 57.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 33' ' ' ARG . 29.4 mt-30 -39.84 -35.9 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 32' ' ' GLN . 16.3 mmt180 -37.78 -53.75 1.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.429 HG21 ' CE1' ' A' ' 35' ' ' HIS . 17.9 m -37.46 -44.16 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.455 ' CG ' HG12 ' A' ' 17' ' ' VAL . 19.6 m-70 -81.95 123.78 29.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.9 t -121.38 -54.01 2.0 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.81 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 178.7 -28.21 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.493 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 58.43 41.39 22.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.881 0.372 . . . . 0.0 110.917 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.473 ' CD ' ' HD2' ' A' ' 40' ' ' PRO . 2.0 tppp? -41.53 136.38 1.9 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.568 0.699 . . . . 0.0 110.914 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.473 ' HD2' ' CD ' ' A' ' 39' ' ' LYS . 53.9 Cg_endo -69.69 84.27 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.339 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.4 m -55.16 170.03 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.866 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 177.59 -83.79 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.49 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 134.72 28.63 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.679 2.253 . . . . 0.0 112.367 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 59.9 p -77.72 163.85 25.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.8 m 60.95 45.57 9.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.087 -0.841 . . . . 0.0 112.45 -179.965 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.7 m -82.93 114.11 20.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.814 0.34 . . . . 0.0 110.889 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 m -96.09 92.2 6.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.37 148.4 16.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.455 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -55.48 94.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.878 0.371 . . . . 0.0 110.835 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.4 p -62.49 -48.58 78.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.39 -176.36 48.27 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.519 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.5 p -99.2 135.03 41.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.832 0.349 . . . . 0.0 111.124 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 153.65 51.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.445 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -63.27 -24.16 67.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.941 0.401 . . . . 0.0 110.859 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -159.67 159.53 27.82 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.558 0.694 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.535 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.5 Cg_endo -69.79 -17.41 37.43 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.676 2.251 . . . . 0.0 112.342 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.659 ' CE1' ' CB ' ' A' ' 25' ' ' HIS . 7.2 m-85 -126.81 113.29 16.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.942 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.453 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 23.6 tt0 -149.08 149.46 31.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.453 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 49.1 t -89.84 129.13 36.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -85.27 24.41 1.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.0 t -128.36 -48.86 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.101 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.6 p -113.18 -8.66 13.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.4 mmt85 61.94 48.5 5.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -100.33 127.9 46.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.42 146.59 25.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -133.14 149.0 52.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.7 t -68.42 -54.52 16.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -97.94 166.42 11.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.659 ' CB ' ' CE1' ' A' ' 13' ' ' TYR . 6.6 p80 -75.26 -44.08 47.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.859 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.485 ' N ' ' CG ' ' A' ' 25' ' ' HIS . . . -51.64 -52.72 45.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -42.62 -28.55 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.0 tp -79.32 -58.41 3.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.407 HG22 ' N ' ' A' ' 30' ' ' GLN . 1.4 t -52.79 -19.9 2.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.16 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.45 ' C ' ' OE1' ' A' ' 30' ' ' GLN . 1.4 tm0? -89.96 -51.51 5.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.48 ' O ' ' N ' ' A' ' 33' ' ' ARG . 4.5 t60 -52.63 -45.48 66.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 31' ' ' HIS . 42.6 mm-40 -35.49 -32.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 31' ' ' HIS . 21.2 mtp85 -48.71 -53.98 16.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.8 m -39.08 -26.55 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.133 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' ' 33' ' ' ARG . 67.4 m-70 -105.45 162.35 13.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.822 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.6 t -112.17 135.31 52.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.54 70.18 0.4 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.504 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 58.27 43.22 20.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.921 0.391 . . . . 0.0 110.892 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.466 ' CD ' ' HD2' ' A' ' 40' ' ' PRO . 0.4 OUTLIER -111.17 136.31 20.88 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.588 0.709 . . . . 0.0 110.913 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.466 ' HD2' ' CD ' ' A' ' 39' ' ' LYS . 53.8 Cg_endo -69.81 -48.08 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.684 2.256 . . . . 0.0 112.341 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.6 m -53.71 -43.94 69.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.25 -169.93 26.3 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.497 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 175.65 7.87 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.702 2.268 . . . . 0.0 112.32 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.7 t -118.12 137.09 53.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 92.5 p -150.53 137.47 19.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.909 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.163 -0.798 . . . . 0.0 112.479 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.434 -0.266 . . . . 0.0 112.434 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 t 68.53 42.46 1.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 110.872 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -57.52 97.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.831 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.44 40.06 2.99 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.515 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 6' ' ' SER . 3.3 p -59.7 -43.28 94.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.897 0.38 . . . . 0.0 110.867 -179.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 5' ' ' SER . 87.4 p 34.38 44.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -35.42 140.19 0.19 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.507 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.2 m -47.6 -60.88 2.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.817 0.341 . . . . 0.0 111.146 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 177.2 -134.02 2.39 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.486 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -141.93 149.53 40.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.866 0.365 . . . . 0.0 110.919 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.85 151.39 38.95 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.589 0.709 . . . . 0.0 110.904 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.449 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.74 -24.79 29.37 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.664 2.243 . . . . 0.0 112.351 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.553 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 4.4 m-85 -125.58 112.72 16.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.952 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.446 ' CD ' ' O ' ' A' ' 15' ' ' CYS . 5.9 tm-20 -142.48 117.84 10.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.861 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.446 ' O ' ' CD ' ' A' ' 14' ' ' GLU . 3.3 t -43.28 166.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -106.12 -34.28 7.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.408 ' HB ' ' CD2' ' A' ' 35' ' ' HIS . 77.7 t -80.44 -62.85 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.106 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.0 p -85.41 -20.84 29.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.22 45.4 6.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.2 tttt -92.34 157.09 16.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.54 144.07 31.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -132.79 157.05 45.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 m -79.59 -46.24 17.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.573 ' CE1' ' HB2' ' A' ' 27' ' ' SER . 0.6 OUTLIER -110.04 140.52 43.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.89 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.553 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 43.8 t-80 -48.76 -51.58 28.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 28' ' ' LEU . . . -44.62 -58.46 3.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.573 ' HB2' ' CE1' ' A' ' 24' ' ' HIS . 1.1 t -38.22 -26.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.834 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 26' ' ' ALA . 30.1 tp -82.22 -58.62 2.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.3 t -52.49 -29.23 23.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -79.26 -59.54 2.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 33' ' ' ARG . 11.3 t60 -53.5 -48.39 69.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' A' ' 31' ' ' HIS . 56.3 mt-30 -34.3 -34.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 31' ' ' HIS . 14.4 mtp85 -41.59 -49.45 4.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.453 HG21 ' N ' ' A' ' 35' ' ' HIS . 23.8 m -41.32 -40.81 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.453 ' N ' HG21 ' A' ' 34' ' ' VAL . 44.7 m-70 -88.37 42.25 1.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.7 m -124.16 123.0 39.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.29 -136.85 22.94 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.466 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -75.37 152.13 38.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.974 0.416 . . . . 0.0 110.858 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.99 144.07 44.09 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.565 0.697 . . . . 0.0 110.931 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 2.71 3.29 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.675 2.25 . . . . 0.0 112.312 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.2 t -73.77 149.06 41.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.39 -158.3 0.12 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.475 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 128.71 16.41 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.682 2.255 . . . . 0.0 112.357 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.6 m -48.44 161.09 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.854 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.1 t -147.75 169.39 19.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.084 -0.842 . . . . 0.0 112.493 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.9 m -74.93 86.1 2.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.821 0.343 . . . . 0.0 110.853 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.8 p -115.49 92.91 4.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -176.81 -151.4 8.95 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.524 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 4' ' ' GLY . 24.2 t -37.15 148.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.9 0.381 . . . . 0.0 110.848 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.9 p -93.04 -46.57 7.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.07 -175.9 44.59 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.554 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.0 t -123.19 83.9 2.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.857 0.36 . . . . 0.0 111.13 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 152.8 110.26 0.42 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.518 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -127.49 -28.65 2.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.889 0.376 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.8 mttt -148.5 150.27 33.53 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.562 0.696 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -18.06 37.55 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.674 2.25 . . . . 0.0 112.354 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.479 ' CD1' ' HA ' ' A' ' 25' ' ' HIS . 11.9 m-85 -107.07 87.47 2.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -123.31 137.24 54.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.9 t -74.75 131.05 40.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -87.0 19.72 2.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.43 HG11 ' CE1' ' A' ' 35' ' ' HIS . 97.8 t -120.11 -54.13 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.4 p -109.64 -5.17 15.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.444 ' N ' ' HD2' ' A' ' 19' ' ' ARG . 4.9 mpt_? 62.46 48.25 4.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.881 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -91.25 -178.04 5.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.98 136.8 42.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.573 ' CD1' HD11 ' A' ' 28' ' ' LEU . 39.6 m-85 -132.63 149.98 52.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.9 m -74.72 -53.02 10.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.855 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -93.17 145.48 24.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.498 ' CG ' ' N ' ' A' ' 26' ' ' ALA . 26.9 p-80 -55.14 -47.05 75.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.498 ' N ' ' CG ' ' A' ' 25' ' ' HIS . . . -57.86 -50.09 74.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 m -41.61 -24.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.573 HD11 ' CD1' ' A' ' 22' ' ' PHE . 57.6 tp -86.59 -54.14 4.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.476 HG23 ' N ' ' A' ' 30' ' ' GLN . 5.0 t -59.64 -28.41 67.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.135 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.476 ' N ' HG23 ' A' ' 29' ' ' THR . 3.1 pt20 -74.39 -39.74 62.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.476 ' O ' ' N ' ' A' ' 33' ' ' ARG . 6.6 t60 -72.31 -45.9 58.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 31' ' ' HIS . 73.8 mt-30 -34.47 -34.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.885 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 35' ' ' HIS . 46.5 mtp180 -47.32 -50.32 22.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.427 HG23 ' N ' ' A' ' 35' ' ' HIS . 34.9 m -38.58 -27.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.48 ' N ' ' O ' ' A' ' 33' ' ' ARG . 41.3 m-70 -99.15 114.57 27.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 35' ' ' HIS . 36.7 p -37.35 130.8 0.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -113.35 -163.32 15.37 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.495 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 39.98 41.96 1.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.951 0.405 . . . . 0.0 110.894 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.427 ' HD2' ' N ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -68.06 144.01 96.62 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.599 0.714 . . . . 0.0 110.861 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -10.02 27.53 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.688 2.259 . . . . 0.0 112.367 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.427 ' N ' ' HD2' ' A' ' 39' ' ' LYS . 23.2 t 67.06 43.41 2.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -47.44 146.86 4.06 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.528 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 2.4 3.56 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.72 2.28 . . . . 0.0 112.311 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.5 m 49.32 40.47 18.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 63.0 m 41.76 41.6 1.85 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 CA-C-O 119.114 -0.826 . . . . 0.0 112.458 179.969 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.4 t -165.35 147.55 7.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.89 0.376 . . . . 0.0 110.838 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.2 p -150.93 176.8 10.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.834 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.68 88.58 0.23 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.437 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.9 p -75.46 153.0 37.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.881 0.372 . . . . 0.0 110.833 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.6 p -115.77 42.16 2.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.848 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.51 -164.12 30.13 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.435 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.6 m 45.77 40.06 5.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.851 0.357 . . . . 0.0 111.145 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 124.55 151.51 8.11 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.504 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -119.07 123.81 45.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.912 0.387 . . . . 0.0 110.897 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.547 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 8.8 ptmt -127.13 48.14 3.05 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.555 0.693 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 54.1 Cg_endo -69.75 1.71 4.18 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.676 2.251 . . . . 0.0 112.367 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.507 ' CD2' ' HA ' ' A' ' 25' ' ' HIS . 29.4 m-85 -99.36 136.9 38.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 60.8 tt0 -153.54 146.85 24.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.863 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.9 t -74.95 179.04 5.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -121.45 -21.3 6.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 97.1 t -90.87 -44.88 14.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.16 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.1 p -115.43 -2.58 12.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.4 mmt85 50.47 46.52 25.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.5 tttm -79.81 170.99 15.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.03 140.8 49.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.082 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.561 ' CE1' HD11 ' A' ' 28' ' ' LEU . 55.2 m-85 -136.78 167.22 21.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.3 p -123.0 35.55 4.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 25' ' ' HIS . 4.2 t-80 -172.65 115.37 0.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.507 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . 3.0 t-160 -34.44 -49.45 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.51 -47.08 80.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.072 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 24' ' ' HIS . 14.8 m -48.74 -19.16 0.33 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.561 HD11 ' CE1' ' A' ' 22' ' ' PHE . 46.6 tp -88.2 -53.47 4.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.479 ' CG2' ' N ' ' A' ' 30' ' ' GLN . 1.4 t -58.91 -42.66 90.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.479 ' N ' ' CG2' ' A' ' 29' ' ' THR . 9.6 pt20 -56.18 -40.89 74.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.422 ' N ' ' HG3' ' A' ' 30' ' ' GLN . 11.9 t60 -73.7 -48.45 31.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -38.58 -31.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -48.27 -46.68 36.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.466 HG23 ' CE1' ' A' ' 35' ' ' HIS . 31.6 m -44.13 -39.55 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.466 ' CE1' HG23 ' A' ' 34' ' ' VAL . 32.5 m-70 -87.77 36.91 0.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 93.4 p -92.01 -41.86 10.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 102.77 110.47 3.43 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.456 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -91.85 40.79 1.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.897 0.38 . . . . 0.0 110.87 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 47.5 pttt -159.39 152.63 18.57 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.558 0.694 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -3.1 11.34 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.633 2.222 . . . . 0.0 112.358 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.6 m -104.2 164.32 11.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 119.82 152.5 9.04 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.514 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -174.15 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.338 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.3 t -126.18 169.37 12.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.86 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.6 m -143.7 159.75 41.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.165 -0.797 . . . . 0.0 112.509 179.995 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t 46.49 41.67 9.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.854 0.359 . . . . 0.0 110.894 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.5 t -70.65 142.23 51.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.13 120.33 0.58 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.498 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.0 m -134.36 171.86 13.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.891 0.377 . . . . 0.0 110.868 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 m -82.36 82.62 7.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.836 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.8 100.97 0.16 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.477 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.2 m -83.3 118.37 23.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.835 0.35 . . . . 0.0 111.166 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 46.13 95.1 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.512 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -62.65 -175.1 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.908 0.385 . . . . 0.0 110.883 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.19 143.32 48.43 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.558 0.694 . . . . 0.0 110.889 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.502 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.77 -11.92 31.81 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.7 2.266 . . . . 0.0 112.35 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.502 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 8.6 m-85 -144.83 125.49 14.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -154.56 120.41 5.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.6 t -52.39 169.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -117.29 -29.98 5.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 94.7 t -75.8 -36.31 32.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.105 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.45 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 19.5 p -119.11 -17.54 8.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.6 mmt85 66.43 35.36 5.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.45 ' CG ' ' SG ' ' A' ' 18' ' ' CYS . 4.0 mmtm -73.76 178.76 4.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.4 ' C ' ' CG ' ' A' ' 22' ' ' PHE . . . -123.5 145.37 48.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.144 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.497 ' CD2' ' HB2' ' A' ' 28' ' ' LEU . 20.6 m-85 -156.08 113.28 3.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 82.6 p -56.98 -42.5 80.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.847 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 19.5 t-160 -105.5 127.46 53.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 28' ' ' LEU . 2.0 t-80 -42.51 -57.95 2.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.467 ' C ' ' O ' ' A' ' 25' ' ' HIS . . . -32.56 -59.32 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.124 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.6 m -43.59 -43.76 5.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.497 ' HB2' ' CD2' ' A' ' 22' ' ' PHE . 12.8 tp -76.41 -42.85 42.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.2 m -54.65 -47.72 73.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -74.34 -37.45 63.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.432 ' O ' ' N ' ' A' ' 33' ' ' ARG . 5.6 t60 -59.85 -47.28 86.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.808 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 31' ' ' HIS . 11.9 mm100 -37.29 -31.95 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.882 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 35' ' ' HIS . 71.7 mtp180 -50.25 -49.18 53.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.484 HG22 ' CE1' ' A' ' 35' ' ' HIS . 17.1 m -40.53 -26.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.484 ' CE1' HG22 ' A' ' 34' ' ' VAL . 20.8 m-70 -100.46 83.85 2.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.0 t -116.03 124.79 51.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -120.75 102.41 0.85 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.461 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -138.84 149.22 44.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.904 0.383 . . . . 0.0 110.877 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.2 152.24 2.76 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.603 0.716 . . . . 0.0 110.929 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -175.1 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.708 2.272 . . . . 0.0 112.305 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.1 m -52.37 -44.0 65.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -163.23 83.5 0.11 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.497 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 137.08 34.5 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.723 2.282 . . . . 0.0 112.337 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 t -174.62 112.55 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.812 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 79.1 p 42.09 42.73 2.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.484 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.8 t -53.15 -46.86 69.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.924 0.393 . . . . 0.0 110.84 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.8 t 45.04 42.33 6.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.37 53.69 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.525 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.3 t -87.16 -44.59 11.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.86 0.362 . . . . 0.0 110.895 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.2 p -86.54 142.45 28.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.35 150.18 8.12 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.469 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 22.7 m -124.84 114.25 18.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.832 0.349 . . . . 0.0 111.204 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 176.12 83.39 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -147.59 118.43 7.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.856 0.36 . . . . 0.0 110.901 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.8 157.36 57.44 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.616 0.722 . . . . 0.0 110.888 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.491 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 54.2 Cg_endo -69.78 2.26 3.71 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.689 2.259 . . . . 0.0 112.355 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.492 ' CE1' ' HB3' ' A' ' 25' ' ' HIS . 65.4 m-85 -122.54 136.07 54.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -163.86 141.9 7.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.9 t -82.07 124.54 29.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -82.93 18.64 1.56 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.7 t -118.65 -49.89 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.147 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.9 p -114.46 -4.5 12.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.42 ' HD3' ' N ' ' A' ' 19' ' ' ARG . 1.4 mpp_? 61.89 53.95 2.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.493 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 14.1 tttp -101.42 138.41 38.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.52 141.02 36.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.073 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.493 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 15.6 m-85 -137.09 179.43 6.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.8 m -93.57 -58.96 2.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -101.93 176.08 5.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.518 ' CG ' ' N ' ' A' ' 26' ' ' ALA . 5.9 p80 -77.31 -53.45 7.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.518 ' N ' ' CG ' ' A' ' 25' ' ' HIS . . . -37.85 -39.92 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 95.3 p -61.02 -50.66 72.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.6 tp -68.45 -43.89 76.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.9 m -60.43 -51.62 68.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.489 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 10.7 mm100 -65.49 -32.37 73.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 32' ' ' GLN . 9.5 t60 -63.53 -55.43 23.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 31' ' ' HIS . 53.7 mt-30 -37.64 -33.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.489 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 11.3 mmt180 -40.79 -44.78 2.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.437 HG22 ' N ' ' A' ' 35' ' ' HIS . 20.6 m -50.21 -46.04 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.437 ' N ' HG22 ' A' ' 34' ' ' VAL . 46.1 m-70 -75.52 169.7 17.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.8 t -134.86 136.87 42.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -68.49 -46.34 63.31 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.478 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -115.18 139.41 49.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.955 0.407 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.7 tttm -118.48 134.41 23.46 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.606 0.717 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 85.3 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.652 2.235 . . . . 0.0 112.323 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.4 m -69.91 90.0 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -142.54 173.39 23.93 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.482 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -33.55 16.45 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.671 2.248 . . . . 0.0 112.329 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 26.1 p -80.51 47.21 0.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.1 p -138.8 125.2 20.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.815 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 CA-C-O 119.162 -0.799 . . . . 0.0 112.462 -179.987 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 1' ' ' GLY . 63.7 p 34.85 43.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.87 0.366 . . . . 0.0 110.822 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.4 m -77.32 88.06 3.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.44 54.58 0.65 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -111.98 136.22 51.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.915 0.388 . . . . 0.0 110.852 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.4 m -156.33 167.78 29.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.37 127.61 3.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 50.1 p -129.88 138.57 51.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.832 0.349 . . . . 0.0 111.156 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 73.0 41.49 48.18 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.471 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -116.17 82.48 1.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.932 0.396 . . . . 0.0 110.913 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.473 ' CD ' ' HB2' ' A' ' 21' ' ' ALA . 0.2 OUTLIER -145.05 152.78 52.18 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.588 0.709 . . . . 0.0 110.958 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.471 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.74 -5.3 15.85 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.726 2.284 . . . . 0.0 112.323 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.471 ' CE1' ' HG2' ' A' ' 12' ' ' PRO . 16.2 m-85 -104.31 113.0 26.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.417 ' N ' HD21 ' A' ' 28' ' ' LEU . 23.2 mt-10 -148.86 161.07 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.9 t -98.4 145.58 26.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -89.55 20.49 3.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 99.8 t -133.62 -60.1 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.0 p -103.99 4.84 34.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.7 mmt85 50.03 36.88 12.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -82.74 130.07 35.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.473 ' HB2' ' CD ' ' A' ' 11' ' ' LYS . . . -92.32 136.32 33.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.108 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.555 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 20.9 m-85 -126.73 133.06 50.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.1 m -62.34 -47.36 84.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.436 ' O ' ' C ' ' A' ' 25' ' ' HIS . 4.0 t-160 -100.95 121.96 42.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 26' ' ' ALA . 24.9 t60 -34.49 -63.68 0.29 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 29' ' ' THR . . . -34.12 -65.59 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 26' ' ' ALA . 18.8 m -37.02 -43.23 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.819 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.555 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 14.6 tp -74.09 -41.26 61.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.881 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 26' ' ' ALA . 2.7 m -66.09 -60.09 3.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -54.54 -40.86 69.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.484 ' CE1' HG21 ' A' ' 34' ' ' VAL . 8.1 t60 -53.55 -47.15 70.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 31' ' ' HIS . 26.5 mm100 -34.61 -34.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 31' ' ' HIS . 37.8 mtp180 -43.37 -56.22 3.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.484 HG21 ' CE1' ' A' ' 31' ' ' HIS . 35.3 m -34.22 -45.61 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.175 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.477 ' CE1' HG23 ' A' ' 34' ' ' VAL . 23.8 m-70 -85.72 103.65 14.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.862 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.7 p -49.23 -38.3 26.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.788 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 122.08 -175.99 16.39 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.542 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -71.49 -4.25 25.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.382 . . . . 0.0 110.868 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.2 ptmm? -138.87 142.62 34.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.52 0.676 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 104.0 1.26 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.632 2.221 . . . . 0.0 112.305 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 71.7 p -141.85 126.37 17.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -140.86 161.65 26.71 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.517 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 177.94 5.03 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.673 2.248 . . . . 0.0 112.396 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.7 p -144.09 122.39 12.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.2 m -124.95 156.23 38.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.845 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.494 -179.978 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.6 m -76.69 113.1 13.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.879 0.371 . . . . 0.0 110.893 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 m -87.56 -48.4 7.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.91 -138.4 14.53 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.543 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.9 p -150.88 133.7 15.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.882 0.372 . . . . 0.0 110.835 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.1 p -121.85 85.12 2.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.854 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.85 40.97 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.4 m -129.03 40.59 3.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.815 0.34 . . . . 0.0 111.13 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.76 93.82 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.462 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -107.53 -26.83 10.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.883 0.373 . . . . 0.0 110.901 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.464 ' HE3' ' N ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -88.79 150.14 45.19 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.589 0.709 . . . . 0.0 110.913 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.449 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 53.8 Cg_endo -69.77 -7.46 21.12 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.707 2.271 . . . . 0.0 112.338 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.449 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 69.6 m-85 -109.09 117.99 35.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -137.5 148.18 45.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -82.95 132.39 35.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -81.57 16.83 1.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.4 t -126.19 -55.66 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 19' ' ' ARG . 26.5 p -116.57 20.72 13.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 18' ' ' CYS . 0.8 OUTLIER 37.36 55.01 1.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.465 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 26.7 tttt -93.8 131.28 39.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.0 138.83 31.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.056 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.465 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 49.0 m-85 -135.21 174.55 10.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 90.7 p -92.57 -55.91 3.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.832 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.568 ' CD2' ' HB2' ' A' ' 26' ' ' ALA . 6.0 t60 -115.35 142.04 47.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.47 ' O ' ' C ' ' A' ' 26' ' ' ALA . 26.4 t60 -36.63 -59.41 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.568 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . . . -31.79 -68.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 26' ' ' ALA . 0.9 OUTLIER -36.84 -46.24 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.858 -179.802 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.412 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 13.7 tp -73.29 -40.06 64.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 26' ' ' ALA . 18.5 m -61.59 -57.14 13.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.178 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -58.69 -38.59 78.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.511 ' CE1' HG21 ' A' ' 34' ' ' VAL . 25.0 t60 -61.46 -50.51 72.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 31' ' ' HIS . 25.1 mt-30 -34.28 -36.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 31' ' ' HIS . 17.0 mtt-85 -42.62 -55.68 3.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.511 HG21 ' CE1' ' A' ' 31' ' ' HIS . 34.6 m -35.38 -40.45 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.138 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.49 ' CE1' HG23 ' A' ' 34' ' ' VAL . 28.1 m-70 -88.39 -46.76 8.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 35' ' ' HIS . 31.1 t -34.43 -59.64 0.45 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 157.45 170.59 22.48 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.436 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -123.87 121.69 36.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.945 0.402 . . . . 0.0 110.858 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -146.24 145.19 23.28 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.575 0.702 . . . . 0.0 110.902 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 147.81 63.3 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.632 2.221 . . . . 0.0 112.37 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.6 t -58.14 147.94 28.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.39 174.5 6.25 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.458 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -4.47 14.14 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.648 2.232 . . . . 0.0 112.367 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.2 m -50.21 -58.77 4.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.9 t 64.69 44.46 3.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.805 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 CA-C-O 119.091 -0.838 . . . . 0.0 112.512 179.982 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 t -138.42 114.19 9.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.893 0.378 . . . . 0.0 110.863 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.2 p -135.67 132.68 37.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.72 55.36 3.78 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.4 t -114.52 -51.74 2.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.873 0.368 . . . . 0.0 110.863 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.0 m -147.79 159.26 44.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.26 46.21 94.39 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.433 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 60.5 m -150.46 126.12 10.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.859 0.362 . . . . 0.0 111.114 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 42.66 49.77 5.91 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.501 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.423 ' C ' ' CD ' ' A' ' 12' ' ' PRO . 34.1 tt0 -64.38 171.35 3.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.96 0.41 . . . . 0.0 110.87 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.417 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 5.1 ptpp? -116.05 55.62 1.23 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.537 0.684 . . . . 0.0 110.869 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.423 ' CD ' ' C ' ' A' ' 10' ' ' GLU . 54.0 Cg_endo -69.75 2.82 3.19 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.671 2.248 . . . . 0.0 112.349 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.538 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 27.9 m-85 -108.65 111.79 23.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -128.73 146.58 50.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.7 t -83.13 131.09 35.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.93 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.29 19.97 2.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.412 HG11 ' CG ' ' A' ' 35' ' ' HIS . 61.3 t -123.43 -44.89 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -117.22 -6.15 11.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? 61.42 46.14 7.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.3 mttt -96.83 174.74 6.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.49 136.77 53.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.076 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.408 ' CE1' HD11 ' A' ' 28' ' ' LEU . 27.6 m-85 -130.76 114.3 15.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.7 p -41.65 -51.57 4.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -99.51 164.61 12.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.808 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.538 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 52.6 t60 -77.11 -51.14 11.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.43 -39.63 33.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.155 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 55.3 m -57.05 -27.77 61.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.843 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.408 HD11 ' CE1' ' A' ' 22' ' ' PHE . 19.4 tp -86.16 -52.81 5.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.441 HG23 ' N ' ' A' ' 30' ' ' GLN . 1.4 t -51.85 -26.32 9.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.131 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.441 ' N ' HG23 ' A' ' 29' ' ' THR . 25.9 mt-30 -88.09 -50.74 6.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.492 ' CE1' HG23 ' A' ' 34' ' ' VAL . 12.1 t60 -48.92 -44.27 40.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 31' ' ' HIS . 25.3 mt-30 -37.85 -27.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 31' ' ' HIS . 10.7 mtm105 -53.06 -49.32 66.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.492 HG23 ' CE1' ' A' ' 31' ' ' HIS . 9.0 m -42.62 -28.5 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.108 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.412 ' CG ' HG11 ' A' ' 17' ' ' VAL . 45.7 m-70 -95.37 107.22 19.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.2 p -93.87 115.37 27.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.16 -165.55 19.89 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.473 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.36 42.54 0.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.916 0.389 . . . . 0.0 110.882 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.471 ' CD ' ' HD2' ' A' ' 40' ' ' PRO . 3.5 tppp? -101.28 139.04 20.12 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.597 0.713 . . . . 0.0 110.892 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.471 ' HD2' ' CD ' ' A' ' 39' ' ' LYS . 54.0 Cg_endo -69.76 -45.67 1.51 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.738 2.292 . . . . 0.0 112.361 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 66.8 p -77.69 134.2 38.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -167.28 -179.39 40.16 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.456 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 85.69 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.328 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.9 t -73.65 88.67 1.71 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.1 t -171.37 110.42 0.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 CA-C-O 119.177 -0.791 . . . . 0.0 112.49 179.986 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.1 t -57.77 170.28 0.62 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.845 0.355 . . . . 0.0 110.867 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.6 p -80.45 166.84 20.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.823 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.76 174.55 54.76 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.455 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -109.63 133.87 52.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.89 0.376 . . . . 0.0 110.842 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.2 m -54.9 -54.14 46.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.872 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.48 67.13 2.88 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.45 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.7 t -102.11 -28.73 12.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.823 0.344 . . . . 0.0 111.131 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 146.45 44.38 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.496 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -67.58 117.22 9.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.942 0.401 . . . . 0.0 110.91 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.4 mttp -141.83 156.04 65.87 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.606 0.717 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.532 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.81 -11.87 31.63 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.673 2.249 . . . . 0.0 112.362 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.532 ' CE2' ' HG2' ' A' ' 12' ' ' PRO . 25.9 m-85 -108.96 104.26 13.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -134.06 130.16 37.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.8 t -62.49 172.14 1.68 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -108.13 -42.01 4.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.45 ' HB ' ' CD2' ' A' ' 35' ' ' HIS . 93.3 t -71.16 -65.48 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.2 p -82.89 -25.16 32.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 52.0 mmm-85 65.91 46.86 2.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.0 tttm -97.47 156.37 16.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.05 146.55 27.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -140.28 158.9 43.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.7 t -73.37 -62.45 1.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.474 ' CD2' ' HD1' ' A' ' 25' ' ' HIS . 6.3 t-160 -106.54 143.58 34.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.479 ' CG ' ' N ' ' A' ' 26' ' ' ALA . 51.9 p-80 -43.0 -54.19 4.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.479 ' N ' ' CG ' ' A' ' 25' ' ' HIS . . . -33.61 -66.85 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 26' ' ' ALA . 1.3 t -36.93 -46.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.6 tp -72.49 -41.71 65.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.404 ' N ' ' O ' ' A' ' 26' ' ' ALA . 8.4 m -59.34 -55.98 27.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.205 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -63.09 -40.16 96.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.445 ' O ' ' C ' ' A' ' 32' ' ' GLN . 11.4 t60 -58.39 -49.27 77.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 31' ' ' HIS . 43.2 mt-30 -34.5 -36.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 31' ' ' HIS . 32.9 mtp85 -41.15 -55.95 2.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.453 HG23 ' CE1' ' A' ' 35' ' ' HIS . 35.1 m -39.11 -40.07 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.453 ' CE1' HG23 ' A' ' 34' ' ' VAL . 17.3 m-70 -82.64 128.75 34.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.1 t -81.99 -56.59 3.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 38' ' ' GLU . . . 154.87 72.86 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.466 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 37' ' ' GLY . 6.5 tm-20 -35.5 134.2 0.33 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.917 0.389 . . . . 0.0 110.918 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -38.35 100.08 0.2 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.566 0.698 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -48.3 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.673 2.248 . . . . 0.0 112.377 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 98.8 p 38.25 43.62 0.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 65.17 79.45 0.18 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.527 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.2 Cg_endo -69.83 140.57 42.75 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.662 2.241 . . . . 0.0 112.29 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 43' ' ' PRO . 49.1 m -36.84 109.67 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 94.3 p -83.32 157.49 22.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.495 179.983 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.4 p -159.94 119.4 2.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.863 0.363 . . . . 0.0 110.855 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.4 p -146.53 157.46 43.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.93 -167.77 13.69 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.466 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.7 t -147.16 132.39 18.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.904 0.383 . . . . 0.0 110.838 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.3 m -95.81 -61.71 1.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.824 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.76 82.18 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.515 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.6 p -59.58 164.83 3.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.821 0.344 . . . . 0.0 111.156 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.23 157.0 27.08 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.497 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -44.5 113.78 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.922 0.391 . . . . 0.0 110.901 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.619 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 2.1 pttm -125.77 43.79 1.02 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.542 0.687 . . . . 0.0 110.926 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.9 Cg_endo -69.7 3.08 2.95 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.685 2.257 . . . . 0.0 112.353 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.464 ' CE2' ' CB ' ' A' ' 25' ' ' HIS . 83.1 m-85 -106.15 121.94 45.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -135.75 151.14 49.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.497 ' SG ' ' NE2' ' A' ' 32' ' ' GLN . 12.3 t -87.69 131.95 34.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -84.1 24.97 0.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.811 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.572 HG13 ' CE1' ' A' ' 35' ' ' HIS . 67.7 t -130.6 -49.83 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.411 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 17.0 p -113.39 -4.59 13.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 65.62 34.55 7.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.475 ' HE3' ' CZ ' ' A' ' 22' ' ' PHE . 14.1 mmmt -70.31 178.85 2.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -150.29 128.36 11.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.086 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.475 ' CZ ' ' HE3' ' A' ' 20' ' ' LYS . 14.4 m-85 -131.04 175.51 9.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.8 p -91.72 -61.18 1.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -85.77 150.19 24.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.464 ' CB ' ' CE2' ' A' ' 13' ' ' TYR . 19.6 p-80 -60.27 -39.35 86.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 28' ' ' LEU . . . -57.12 -56.64 19.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.6 m -39.82 -29.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 26' ' ' ALA . 44.9 tp -83.31 -62.75 1.51 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.942 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.401 ' CG2' ' N ' ' A' ' 30' ' ' GLN . 1.5 t -46.43 -38.37 8.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.131 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.401 ' N ' ' CG2' ' A' ' 29' ' ' THR . 53.3 mt-30 -75.38 -30.1 60.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 33' ' ' ARG . 2.5 t60 -73.49 -52.93 11.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.497 ' NE2' ' SG ' ' A' ' 15' ' ' CYS . 14.7 mm-40 -33.92 -33.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -43.38 -49.18 7.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.468 HG22 ' N ' ' A' ' 35' ' ' HIS . 33.2 m -35.79 -33.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.572 ' CE1' HG13 ' A' ' 17' ' ' VAL . 31.5 m-70 -94.16 150.3 20.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.6 m -81.89 169.78 16.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.862 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -41.07 -77.69 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.531 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -161.57 173.6 14.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.914 0.388 . . . . 0.0 110.885 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.428 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 5.6 tmtt? 45.82 55.0 14.75 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.592 0.711 . . . . 0.0 110.857 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.428 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.5 Cg_endo -69.79 151.31 68.84 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.712 2.275 . . . . 0.0 112.341 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.8 m -106.99 147.58 29.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -156.68 140.88 7.49 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 97.21 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.698 2.265 . . . . 0.0 112.362 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.9 t -163.75 168.24 19.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.828 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.7 p -147.26 123.53 10.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.898 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 CA-C-O 119.114 -0.826 . . . . 0.0 112.467 -179.958 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.4 p -87.6 117.67 26.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.859 0.361 . . . . 0.0 110.834 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -103.86 -49.64 3.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.57 159.58 27.94 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.1 p -111.52 145.94 38.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.881 0.372 . . . . 0.0 110.87 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.3 p -67.67 175.55 2.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.821 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.47 72.14 0.9 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.548 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.6 p -126.08 103.19 7.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.807 0.337 . . . . 0.0 111.148 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.24 49.95 3.65 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.484 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.45 ' HG3' ' CD ' ' A' ' 11' ' ' LYS . 9.9 pt-20 -77.72 -26.89 50.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.944 0.402 . . . . 0.0 110.885 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.45 ' CD ' ' HG3' ' A' ' 10' ' ' GLU . 1.9 mptm? -116.68 140.67 27.06 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.565 0.698 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.567 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.79 -24.67 29.29 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.656 2.237 . . . . 0.0 112.334 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.567 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 64.8 m-85 -101.48 141.71 33.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.934 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -155.93 149.21 24.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.6 t -76.88 128.73 35.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -84.75 27.01 0.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 95.0 t -131.99 -48.62 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -112.88 -8.25 13.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 63.59 48.23 3.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -98.82 148.81 23.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.75 144.1 27.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.081 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.53 ' CE1' HD13 ' A' ' 28' ' ' LEU . 88.5 m-85 -134.49 133.73 40.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.2 m -53.31 -39.97 64.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.477 ' CE1' ' OG ' ' A' ' 27' ' ' SER . 1.2 p80 -135.59 175.51 9.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.843 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.433 ' O ' ' N ' ' A' ' 28' ' ' LEU . 7.5 p80 -70.46 -54.6 11.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.82 -36.35 1.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.477 ' OG ' ' CE1' ' A' ' 24' ' ' HIS . 1.8 m -67.46 -35.79 79.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.53 HD13 ' CE1' ' A' ' 22' ' ' PHE . 21.9 tp -82.02 -52.59 6.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.949 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 t -46.65 -37.09 7.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -76.89 -52.49 9.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 32' ' ' GLN . 3.1 t60 -52.14 -49.87 62.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 31' ' ' HIS . 29.8 mm-40 -34.7 -46.24 0.28 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 34' ' ' VAL . 2.1 mpt_? -41.05 -48.73 3.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.549 HG23 ' CE1' ' A' ' 35' ' ' HIS . 33.8 m -33.81 -37.94 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.174 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.549 ' CE1' HG23 ' A' ' 34' ' ' VAL . 22.9 m-70 -90.49 130.1 36.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.1 t -121.75 -49.52 2.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 129.98 -53.96 0.8 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.505 ' OE2' ' N ' ' A' ' 39' ' ' LYS . 4.3 tm-20 -67.63 172.8 4.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.895 0.379 . . . . 0.0 110.875 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.53 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 0.0 OUTLIER 40.13 49.26 2.71 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.569 0.7 . . . . 0.0 110.863 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.6 Cg_endo -69.76 86.99 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.689 2.259 . . . . 0.0 112.317 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.4 p -106.19 109.88 21.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.844 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.21 151.76 35.35 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.6 Cg_endo -69.75 1.78 4.12 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.64 2.226 . . . . 0.0 112.339 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 43' ' ' PRO . 68.6 m -35.04 111.47 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 t -61.48 139.6 58.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.88 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.505 179.998 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.528 ' HB3' HD22 ' A' ' 28' ' ' LEU . 28.7 m-85 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.827 0.346 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -140.29 129.01 23.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.8 t -64.82 129.13 38.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -84.85 23.4 1.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.822 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.3 t -125.88 -54.65 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.126 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.2 p -110.49 -1.33 17.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.454 ' HD3' ' N ' ' A' ' 19' ' ' ARG . 1.9 mpp_? 60.59 47.37 8.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -85.22 169.55 13.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.31 128.58 41.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -124.34 162.97 22.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.893 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 31.5 p -89.69 -45.93 8.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.608 ' CD2' ' HB3' ' A' ' 26' ' ' ALA . 39.0 t60 -98.23 155.75 17.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.512 ' HB2' ' CZ ' ' A' ' 13' ' ' TYR . 3.0 t60 -64.94 -55.39 19.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.608 ' HB3' ' CD2' ' A' ' 24' ' ' HIS . . . -47.79 -48.97 30.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.8 m -43.17 -29.62 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.528 HD22 ' HB3' ' A' ' 13' ' ' TYR . 39.8 tp -79.44 -54.86 5.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.468 HG22 ' O ' ' A' ' 26' ' ' ALA . 2.7 t -58.83 -22.37 58.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -84.95 -46.8 10.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.807 ' O ' HG22 ' A' ' 34' ' ' VAL . 11.1 t60 -57.97 -45.87 86.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 31' ' ' HIS . 46.0 mt-30 -36.53 -30.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 31' ' ' HIS . 45.6 mtt-85 -48.36 -53.4 17.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.807 HG22 ' O ' ' A' ' 31' ' ' HIS . 21.3 m -38.76 -26.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' A' ' 33' ' ' ARG . 38.8 m-70 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.532 ' CE2' ' HB3' ' A' ' 25' ' ' HIS . 47.9 m-85 . . . . . 0 CA--C 1.526 0.05 0 CA-C-O 120.855 0.359 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -149.98 141.96 23.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.845 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.9 t -83.56 133.66 34.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.816 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -91.1 26.59 2.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 82.3 t -131.69 -43.63 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -118.09 -7.21 10.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? 61.71 46.94 6.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -97.55 142.45 29.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.91 133.89 51.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -121.48 157.61 30.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.7 t -77.46 -47.78 18.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -104.59 178.15 4.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.532 ' HB3' ' CE2' ' A' ' 13' ' ' TYR . 14.9 p80 -87.41 -55.74 3.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.838 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.432 ' N ' ' CG ' ' A' ' 25' ' ' HIS . . . -40.42 -24.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 25' ' ' HIS . 25.4 p -69.61 -47.07 64.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 55.2 tp -73.33 -54.38 8.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.4 t -42.88 -37.57 1.88 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.167 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.0 tm0? -83.75 -63.23 1.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.868 ' O ' HG22 ' A' ' 34' ' ' VAL . 8.5 t60 -39.5 -57.36 1.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 31' ' ' HIS . 10.2 mm-40 -34.49 -39.35 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 35' ' ' HIS . 71.1 mtp180 -44.48 -55.7 4.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.868 HG22 ' O ' ' A' ' 31' ' ' HIS . 35.9 m -36.36 -32.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.427 ' N ' ' O ' ' A' ' 33' ' ' ARG . 28.2 m-70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.818 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.565 ' CE2' ' N ' ' A' ' 25' ' ' HIS . 2.5 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.828 0.347 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -135.34 140.52 45.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -77.21 173.56 11.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -113.13 -49.16 2.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.45 ' HB ' ' CD2' ' A' ' 35' ' ' HIS . 98.5 t -61.3 -57.9 10.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.144 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.4 p -93.04 -23.13 18.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 39.7 mmm-85 64.24 50.64 2.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 48.1 tttp -97.24 150.7 20.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.94 130.07 49.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -119.32 164.67 15.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.3 p -113.36 36.36 3.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 25' ' ' HIS . 1.1 t-80 -170.65 112.54 0.41 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.837 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.565 ' N ' ' CE2' ' A' ' 13' ' ' TYR . 18.1 p80 -37.74 -43.13 0.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.837 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.82 -52.22 64.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.07 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.9 t -43.96 -28.1 0.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.0 tp -83.2 -53.67 5.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.967 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.4 t -59.32 -18.18 35.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -94.41 -54.54 3.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.458 ' O ' ' N ' ' A' ' 33' ' ' ARG . 7.8 t60 -51.43 -42.97 61.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.822 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -40.14 -25.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' HIS . 49.9 mtp85 -50.81 -45.74 59.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.821 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 20.3 m -43.86 -37.58 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.45 ' CD2' ' HB ' ' A' ' 17' ' ' VAL . 42.7 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.449 ' C ' ' OE1' ' A' ' 14' ' ' GLU . 24.2 m-85 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.864 0.364 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.449 ' OE1' ' C ' ' A' ' 13' ' ' TYR . 1.4 mp0 -134.05 158.0 44.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.1 t -95.1 133.63 38.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -87.33 24.87 1.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.0 t -131.55 -49.69 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.075 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.4 p -112.34 -5.14 14.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 59.37 48.35 10.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -106.99 135.8 47.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.22 138.79 31.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.079 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -124.95 147.27 48.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.9 m -63.98 -47.52 80.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.844 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -115.67 147.16 41.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.818 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.472 ' O ' ' N ' ' A' ' 28' ' ' LEU . 5.9 t-80 -53.44 -58.73 6.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 25' ' ' HIS . . . -33.94 -53.5 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.062 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -48.66 -43.76 36.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.868 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 25' ' ' HIS . 15.7 tp -76.25 -42.69 44.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.909 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.1 m -55.22 -48.62 73.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.161 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -74.03 -46.79 41.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.868 ' O ' HG22 ' A' ' 34' ' ' VAL . 8.9 t60 -49.22 -41.03 35.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -44.13 -28.95 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 51.9 mtm180 -55.63 -46.94 77.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.868 HG22 ' O ' ' A' ' 31' ' ' HIS . 32.6 m -40.75 -28.68 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.51 ' CE1' HG23 ' A' ' 34' ' ' VAL . 22.1 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.85 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.451 ' CE1' ' HB3' ' A' ' 25' ' ' HIS . 26.0 m-85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.844 0.354 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -153.45 147.81 25.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.2 t -72.79 174.21 8.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -113.39 -30.04 7.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 93.3 t -83.07 -51.3 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.6 p -109.26 2.12 20.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 42.32 43.81 3.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -81.65 143.09 32.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.39 141.18 28.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.085 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.457 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 60.1 m-85 -133.31 -33.78 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.1 m 59.58 31.29 20.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.872 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.412 ' O ' ' N ' ' A' ' 27' ' ' SER . 2.1 t-80 -165.18 110.16 0.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.451 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 28.4 p-80 -43.45 -45.3 6.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.835 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.433 ' N ' ' CG ' ' A' ' 25' ' ' HIS . . . -63.6 -31.68 72.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.457 ' CB ' ' HB3' ' A' ' 22' ' ' PHE . 53.8 m -73.42 -30.92 63.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.881 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.3 tp -83.48 -45.28 13.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 t -54.92 -34.28 62.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.173 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.423 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 55.2 mt-30 -78.67 -54.2 6.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.837 ' O ' HG22 ' A' ' 34' ' ' VAL . 38.7 t60 -52.34 -51.55 58.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -38.55 -27.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.485 ' N ' ' O ' ' A' ' 31' ' ' HIS . 3.0 mmp_? -54.12 -47.15 72.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.837 HG22 ' O ' ' A' ' 31' ' ' HIS . 29.8 m -52.06 -18.08 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 50.5 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.893 0.377 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -173.32 142.31 0.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.3 t -73.91 178.13 5.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -117.15 -43.9 2.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.656 HG21 ' HB3' ' A' ' 35' ' ' HIS . 97.7 t -65.39 -49.08 80.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.157 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.9 p -105.36 -23.06 12.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? 65.18 49.6 1.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.471 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 37.9 tttp -95.08 155.29 16.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.18 149.5 21.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.089 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 23.1 m-85 -144.86 156.69 44.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.4 m -77.1 -56.64 4.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 15.4 t-80 -107.39 162.91 13.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.449 ' O ' ' C ' ' A' ' 26' ' ' ALA . 28.6 t60 -60.86 -56.34 22.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 25' ' ' HIS . . . -33.59 -61.99 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 t -40.85 -43.97 2.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 25' ' ' HIS . 15.8 tp -76.06 -42.09 48.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.96 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.3 m -58.67 -59.07 5.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.186 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -60.45 -47.68 85.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.63 ' O ' HG22 ' A' ' 34' ' ' VAL . 30.1 t60 -52.17 -52.21 53.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -37.23 -28.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' HIS . 26.3 mmm180 -51.23 -50.23 59.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.63 HG22 ' O ' ' A' ' 31' ' ' HIS . 28.9 m -43.88 -24.78 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.656 ' HB3' HG21 ' A' ' 17' ' ' VAL . 47.5 m-70 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.824 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.464 ' HB3' HD22 ' A' ' 28' ' ' LEU . 39.4 m-85 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.846 0.355 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -154.86 144.51 21.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -69.17 179.64 1.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -121.55 -49.06 2.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 99.5 t -62.11 -51.35 73.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.098 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.6 p -99.69 -20.88 16.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 62.91 50.5 3.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.4 tttp -92.73 150.23 20.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.45 143.19 29.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.1 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -137.0 149.32 47.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.5 t -88.37 -45.25 10.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -100.95 124.35 46.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 13' ' ' TYR . 36.9 p-80 -41.04 -43.94 2.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.447 ' O ' HG22 ' A' ' 29' ' ' THR . . . -51.85 -53.04 44.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.067 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.0 m -41.44 -29.48 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.464 HD22 ' HB3' ' A' ' 13' ' ' TYR . 44.2 tp -81.89 -58.85 2.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.447 HG22 ' O ' ' A' ' 26' ' ' ALA . 1.4 t -50.66 -21.25 1.5 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.108 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -92.72 -52.04 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.819 ' O ' HG22 ' A' ' 34' ' ' VAL . 11.1 t60 -58.28 -47.3 84.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -38.23 -28.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.962 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 31' ' ' HIS . 57.8 mtp180 -49.45 -54.0 19.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.819 HG22 ' O ' ' A' ' 31' ' ' HIS . 26.1 m -40.42 -26.06 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.516 ' CE1' HG23 ' A' ' 34' ' ' VAL . 16.8 m-70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.548 ' HB3' HD22 ' A' ' 28' ' ' LEU . 2.4 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.832 0.349 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.438 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 21.5 tt0 -174.76 147.76 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.438 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 1.8 t -86.4 122.26 30.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.446 ' O ' ' NH1' ' A' ' 19' ' ' ARG . 2.1 t70 -80.86 14.08 2.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.6 t -117.0 -39.44 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.6 p -121.03 -5.39 9.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 16' ' ' ASP . 8.1 mpt_? 62.27 43.53 8.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.818 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -91.34 -180.0 5.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.43 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -135.37 147.66 49.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.43 ' CD1' ' C ' ' A' ' 21' ' ' ALA . 14.6 m-85 -141.09 171.96 13.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.0 t -106.18 -44.07 4.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.851 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -95.91 120.72 36.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -38.77 -55.92 1.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.483 ' O ' HG22 ' A' ' 29' ' ' THR . . . -51.0 -53.53 32.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 68.6 m -38.81 -28.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.548 HD22 ' HB3' ' A' ' 13' ' ' TYR . 43.6 tp -79.37 -56.37 4.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.483 HG22 ' O ' ' A' ' 26' ' ' ALA . 4.1 t -56.89 -20.13 21.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -90.24 -35.54 15.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -67.66 -50.59 57.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 33' ' ' ARG . 29.4 mt-30 -39.84 -35.9 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 32' ' ' GLN . 16.3 mmt180 -37.78 -53.75 1.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.498 HG23 ' N ' ' A' ' 35' ' ' HIS . 17.9 m -37.46 -44.16 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.498 ' N ' HG23 ' A' ' 34' ' ' VAL . 19.6 m-70 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.659 ' CE1' ' CB ' ' A' ' 25' ' ' HIS . 7.2 m-85 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.861 0.362 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.464 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 23.6 tt0 -149.08 149.46 31.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.464 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 49.1 t -89.84 129.13 36.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -85.27 24.41 1.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.0 t -128.36 -48.86 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.101 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.6 p -113.18 -8.66 13.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.4 mmt85 61.94 48.5 5.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -100.33 127.9 46.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.42 146.59 25.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -133.14 149.0 52.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.7 t -68.42 -54.52 16.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -97.94 166.42 11.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.659 ' CB ' ' CE1' ' A' ' 13' ' ' TYR . 6.6 p80 -75.26 -44.08 47.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.859 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.485 ' N ' ' CG ' ' A' ' 25' ' ' HIS . . . -51.64 -52.72 45.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -42.62 -28.55 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.0 tp -79.32 -58.41 3.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.441 HG22 ' O ' ' A' ' 26' ' ' ALA . 1.4 t -52.79 -19.9 2.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.16 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.45 ' C ' ' OE1' ' A' ' 30' ' ' GLN . 1.4 tm0? -89.96 -51.51 5.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.85 ' O ' HG22 ' A' ' 34' ' ' VAL . 4.5 t60 -52.63 -45.48 66.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 31' ' ' HIS . 42.6 mm-40 -35.49 -32.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 31' ' ' HIS . 21.2 mtp85 -48.71 -53.98 16.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.85 HG22 ' O ' ' A' ' 31' ' ' HIS . 26.8 m -39.08 -26.55 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.133 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' ' 33' ' ' ARG . 67.4 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.822 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.545 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 4.4 m-85 . . . . . 0 N--CA 1.458 -0.035 0 CA-C-O 120.873 0.368 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.446 ' CD ' ' O ' ' A' ' 15' ' ' CYS . 5.9 tm-20 -142.48 117.84 10.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.861 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.446 ' O ' ' CD ' ' A' ' 14' ' ' GLU . 3.3 t -43.28 166.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -106.12 -34.28 7.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.82 HG21 ' HB3' ' A' ' 35' ' ' HIS . 77.7 t -80.44 -62.85 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.106 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.0 p -85.41 -20.84 29.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.22 45.4 6.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.2 tttt -92.34 157.09 16.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.54 144.07 31.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -132.79 157.05 45.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 m -79.59 -46.24 17.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.618 ' CD2' ' HB2' ' A' ' 27' ' ' SER . 0.5 OUTLIER -110.04 140.52 43.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.89 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.545 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 43.8 t-80 -48.76 -51.58 28.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 28' ' ' LEU . . . -44.62 -58.46 3.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.618 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 1.1 t -38.22 -26.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.834 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 26' ' ' ALA . 30.1 tp -82.22 -58.62 2.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.43 HG22 ' O ' ' A' ' 26' ' ' ALA . 2.3 t -52.49 -29.23 23.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -79.26 -59.54 2.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 33' ' ' ARG . 11.3 t60 -53.5 -48.39 69.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' A' ' 31' ' ' HIS . 56.3 mt-30 -34.3 -34.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 31' ' ' HIS . 14.4 mtp85 -41.59 -49.45 4.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.437 HG23 ' N ' ' A' ' 35' ' ' HIS . 23.8 m -41.32 -40.81 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.82 ' HB3' HG21 ' A' ' 17' ' ' VAL . 44.7 m-70 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.484 ' CD1' ' HA ' ' A' ' 25' ' ' HIS . 11.9 m-85 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.877 0.37 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -123.31 137.24 54.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.406 ' HA ' HD11 ' A' ' 28' ' ' LEU . 6.9 t -74.75 131.05 40.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -87.0 19.72 2.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.729 HG11 ' CG ' ' A' ' 35' ' ' HIS . 97.8 t -120.11 -54.13 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.4 p -109.64 -5.17 15.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.457 ' N ' ' HD2' ' A' ' 19' ' ' ARG . 4.9 mpt_? 62.46 48.25 4.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.881 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -91.25 -178.04 5.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.98 136.8 42.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -132.63 149.98 52.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.9 m -74.72 -53.02 10.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.855 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -93.17 145.48 24.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.498 ' CG ' ' N ' ' A' ' 26' ' ' ALA . 26.9 p-80 -55.14 -47.05 75.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.498 ' N ' ' CG ' ' A' ' 25' ' ' HIS . . . -57.86 -50.09 74.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 m -41.61 -24.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 26' ' ' ALA . 57.6 tp -86.59 -54.14 4.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.486 HG22 ' HA ' ' A' ' 26' ' ' ALA . 5.0 t -59.64 -28.41 67.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.135 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.471 ' HG3' ' N ' ' A' ' 31' ' ' HIS . 10.0 pt20 -74.39 -39.74 62.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.698 ' O ' HG22 ' A' ' 34' ' ' VAL . 6.6 t60 -72.31 -45.9 58.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 31' ' ' HIS . 73.8 mt-30 -34.47 -34.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.885 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 35' ' ' HIS . 46.5 mtp180 -47.32 -50.32 22.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.698 HG22 ' O ' ' A' ' 31' ' ' HIS . 34.9 m -38.58 -27.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.729 ' CG ' HG11 ' A' ' 17' ' ' VAL . 41.3 m-70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.512 ' CD2' ' HA ' ' A' ' 25' ' ' HIS . 29.4 m-85 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.848 0.356 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 60.8 tt0 -153.54 146.85 24.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.863 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.9 t -74.95 179.04 5.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -121.45 -21.3 6.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 97.1 t -90.87 -44.88 14.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.16 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.1 p -115.43 -2.58 12.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.4 mmt85 50.47 46.52 25.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.5 tttm -79.81 170.99 15.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.03 140.8 49.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.082 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -136.78 167.22 21.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.3 p -123.0 35.55 4.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 25' ' ' HIS . 4.2 t-80 -172.65 115.37 0.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.512 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . 5.1 t-80 -34.44 -49.45 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.51 -47.08 80.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.072 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 24' ' ' HIS . 14.8 m -48.74 -19.16 0.33 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.483 HD22 ' HB3' ' A' ' 13' ' ' TYR . 46.6 tp -88.2 -53.47 4.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.479 ' CG2' ' N ' ' A' ' 30' ' ' GLN . 1.4 t -58.91 -42.66 90.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.479 ' N ' ' CG2' ' A' ' 29' ' ' THR . 9.6 pt20 -56.18 -40.89 74.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.651 ' O ' HG22 ' A' ' 34' ' ' VAL . 11.9 t60 -73.7 -48.45 31.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -38.58 -31.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -48.27 -46.68 36.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.651 HG22 ' O ' ' A' ' 31' ' ' HIS . 31.6 m -44.13 -39.55 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.42 ' N ' HG23 ' A' ' 34' ' ' VAL . 32.5 m-70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.872 0.368 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -154.56 120.41 5.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.6 t -52.39 169.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -117.29 -29.98 5.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 94.7 t -75.8 -36.31 32.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.105 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.45 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 19.5 p -119.11 -17.54 8.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.6 mmt85 66.43 35.36 5.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.45 ' CG ' ' SG ' ' A' ' 18' ' ' CYS . 4.0 mmtm -73.76 178.76 4.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.4 ' C ' ' CG ' ' A' ' 22' ' ' PHE . . . -123.5 145.37 48.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.144 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.498 ' CD2' ' HB2' ' A' ' 28' ' ' LEU . 20.6 m-85 -156.08 113.28 3.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 82.6 p -56.98 -42.5 80.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.847 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 19.5 t-160 -105.5 127.46 53.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 28' ' ' LEU . 2.0 t-80 -42.51 -57.95 2.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.467 ' C ' ' O ' ' A' ' 25' ' ' HIS . . . -32.56 -59.32 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.124 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.6 m -43.59 -43.76 5.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.498 ' HB2' ' CD2' ' A' ' 22' ' ' PHE . 12.8 tp -76.41 -42.85 42.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.2 m -54.65 -47.72 73.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -74.34 -37.45 63.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.952 ' O ' HG22 ' A' ' 34' ' ' VAL . 5.6 t60 -59.85 -47.28 86.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.808 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 31' ' ' HIS . 11.9 mm100 -37.29 -31.95 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.882 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 35' ' ' HIS . 71.7 mtp180 -50.25 -49.18 53.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.952 HG22 ' O ' ' A' ' 31' ' ' HIS . 17.1 m -40.53 -26.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.439 ' N ' ' O ' ' A' ' 33' ' ' ARG . 20.8 m-70 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.515 ' CE1' ' HB3' ' A' ' 25' ' ' HIS . 65.4 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.837 0.351 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -163.86 141.9 7.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.9 t -82.07 124.54 29.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -82.93 18.64 1.56 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.7 t -118.65 -49.89 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.147 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.9 p -114.46 -4.5 12.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.414 ' HD3' ' N ' ' A' ' 19' ' ' ARG . 1.4 mpp_? 61.89 53.95 2.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.489 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 14.1 tttp -101.42 138.41 38.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.52 141.02 36.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.073 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.489 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 15.6 m-85 -137.09 179.43 6.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.8 m -93.57 -58.96 2.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -101.93 176.08 5.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.518 ' CG ' ' N ' ' A' ' 26' ' ' ALA . 27.0 p-80 -77.31 -53.45 7.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.518 ' N ' ' CG ' ' A' ' 25' ' ' HIS . . . -37.85 -39.92 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 95.3 p -61.02 -50.66 72.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.6 tp -68.45 -43.89 76.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.9 m -60.43 -51.62 68.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.489 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 10.7 mm100 -65.49 -32.37 73.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 32' ' ' GLN . 9.5 t60 -63.53 -55.43 23.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 31' ' ' HIS . 53.7 mt-30 -37.64 -33.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.489 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 11.3 mmt180 -40.79 -44.78 2.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.546 HG23 ' N ' ' A' ' 35' ' ' HIS . 20.6 m -50.21 -46.04 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.546 ' N ' HG23 ' A' ' 34' ' ' VAL . 46.1 m-70 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.793 0.33 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -148.86 161.07 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.9 t -98.4 145.58 26.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -89.55 20.49 3.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 99.8 t -133.62 -60.1 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.0 p -103.99 4.84 34.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.7 mmt85 50.03 36.88 12.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -82.74 130.07 35.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.32 136.32 33.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.108 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.546 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 20.9 m-85 -126.73 133.06 50.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.1 m -62.34 -47.36 84.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.436 ' O ' ' C ' ' A' ' 25' ' ' HIS . 1.8 t-80 -100.95 121.96 42.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 26' ' ' ALA . 24.9 t60 -34.49 -63.68 0.29 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 29' ' ' THR . . . -34.12 -65.59 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 26' ' ' ALA . 18.8 m -37.02 -43.23 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.819 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.546 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 14.6 tp -74.09 -41.26 61.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.881 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 26' ' ' ALA . 2.7 m -66.09 -60.09 3.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -54.54 -40.86 69.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.591 ' O ' HG22 ' A' ' 34' ' ' VAL . 8.1 t60 -53.55 -47.15 70.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 31' ' ' HIS . 80.1 mm-40 -34.61 -34.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 31' ' ' HIS . 37.8 mtp180 -43.37 -56.22 3.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.591 HG22 ' O ' ' A' ' 31' ' ' HIS . 35.3 m -34.22 -45.61 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.175 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.505 ' N ' HG23 ' A' ' 34' ' ' VAL . 23.8 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.844 0.354 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -137.5 148.18 45.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -82.95 132.39 35.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -81.57 16.83 1.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.427 HG11 ' CG ' ' A' ' 35' ' ' HIS . 96.4 t -126.19 -55.66 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 19' ' ' ARG . 26.5 p -116.57 20.72 13.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 18' ' ' CYS . 0.8 OUTLIER 37.36 55.01 1.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.46 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 26.7 tttt -93.8 131.28 39.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.0 138.83 31.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.056 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.46 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 49.0 m-85 -135.21 174.55 10.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 90.7 p -92.57 -55.91 3.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.832 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 25' ' ' HIS . 6.0 t60 -115.35 142.04 47.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.47 ' O ' ' C ' ' A' ' 26' ' ' ALA . 26.4 t60 -36.63 -59.41 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.47 ' C ' ' O ' ' A' ' 25' ' ' HIS . . . -31.79 -68.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 26' ' ' ALA . 0.9 OUTLIER -36.84 -46.24 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.858 -179.802 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.413 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 13.7 tp -73.29 -40.06 64.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 26' ' ' ALA . 18.5 m -61.59 -57.14 13.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.178 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -58.69 -38.59 78.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.646 ' O ' HG22 ' A' ' 34' ' ' VAL . 25.0 t60 -61.46 -50.51 72.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 31' ' ' HIS . 25.1 mt-30 -34.28 -36.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 31' ' ' HIS . 17.0 mtt-85 -42.62 -55.68 3.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.646 HG22 ' O ' ' A' ' 31' ' ' HIS . 34.6 m -35.38 -40.45 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.138 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.427 ' CG ' HG11 ' A' ' 17' ' ' VAL . 28.1 m-70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.53 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 27.9 m-85 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.772 0.32 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -128.73 146.58 50.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.7 t -83.13 131.09 35.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.93 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.29 19.97 2.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.428 HG11 ' CG ' ' A' ' 35' ' ' HIS . 61.3 t -123.43 -44.89 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -117.22 -6.15 11.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? 61.42 46.14 7.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.3 mttt -96.83 174.74 6.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.49 136.77 53.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.076 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -130.76 114.3 15.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.7 p -41.65 -51.57 4.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -99.51 164.61 12.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.808 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.53 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 52.6 t60 -77.11 -51.14 11.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.465 ' O ' HG22 ' A' ' 29' ' ' THR . . . -49.43 -39.63 33.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.155 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 55.3 m -57.05 -27.77 61.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.843 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.4 tp -86.16 -52.81 5.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.465 HG22 ' O ' ' A' ' 26' ' ' ALA . 1.4 t -51.85 -26.32 9.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.131 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -88.09 -50.74 6.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 33' ' ' ARG . 12.1 t60 -48.92 -44.27 40.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 31' ' ' HIS . 25.3 mt-30 -37.85 -27.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 31' ' ' HIS . 10.7 mtm105 -53.06 -49.32 66.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.469 HG21 ' CE1' ' A' ' 31' ' ' HIS . 9.0 m -42.62 -28.5 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.108 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.428 ' CG ' HG11 ' A' ' 17' ' ' VAL . 45.7 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.471 ' CE1' ' HB3' ' A' ' 25' ' ' HIS . 25.9 m-85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.833 0.349 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -134.06 130.16 37.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.8 t -62.49 172.14 1.68 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -108.13 -42.01 4.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.459 ' HB ' ' CD2' ' A' ' 35' ' ' HIS . 93.3 t -71.16 -65.48 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.2 p -82.89 -25.16 32.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 52.0 mmm-85 65.91 46.86 2.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.0 tttm -97.47 156.37 16.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.05 146.55 27.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -140.28 158.9 43.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.7 t -73.37 -62.45 1.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.439 ' CE1' ' CE1' ' A' ' 25' ' ' HIS . 6.3 t-160 -106.54 143.58 34.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.479 ' CG ' ' N ' ' A' ' 26' ' ' ALA . 51.9 p-80 -43.0 -54.19 4.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.479 ' N ' ' CG ' ' A' ' 25' ' ' HIS . . . -33.61 -66.85 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 26' ' ' ALA . 1.3 t -36.93 -46.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.6 tp -72.49 -41.71 65.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.404 ' N ' ' O ' ' A' ' 26' ' ' ALA . 8.4 m -59.34 -55.98 27.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.205 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -63.09 -40.16 96.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.67 ' O ' HG22 ' A' ' 34' ' ' VAL . 11.4 t60 -58.39 -49.27 77.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 31' ' ' HIS . 43.2 mt-30 -34.5 -36.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 31' ' ' HIS . 32.9 mtp85 -41.15 -55.95 2.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.67 HG22 ' O ' ' A' ' 31' ' ' HIS . 35.1 m -39.11 -40.07 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.459 ' CD2' ' HB ' ' A' ' 17' ' ' VAL . 17.3 m-70 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.464 ' CE2' ' CB ' ' A' ' 25' ' ' HIS . 83.1 m-85 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.837 0.351 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -135.75 151.14 49.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.3 t -87.69 131.95 34.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -84.1 24.97 0.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.811 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 67.7 t -130.6 -49.83 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.411 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 17.0 p -113.39 -4.59 13.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 65.62 34.55 7.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.496 ' HE3' ' CZ ' ' A' ' 22' ' ' PHE . 14.1 mmmt -70.31 178.85 2.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -150.29 128.36 11.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.086 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.496 ' CZ ' ' HE3' ' A' ' 20' ' ' LYS . 14.4 m-85 -131.04 175.51 9.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.8 p -91.72 -61.18 1.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -85.77 150.19 24.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.464 ' CB ' ' CE2' ' A' ' 13' ' ' TYR . 19.6 p-80 -60.27 -39.35 86.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 28' ' ' LEU . . . -57.12 -56.64 19.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.6 m -39.82 -29.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 26' ' ' ALA . 44.9 tp -83.31 -62.75 1.51 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.942 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.401 ' CG2' ' N ' ' A' ' 30' ' ' GLN . 1.5 t -46.43 -38.37 8.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.131 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.401 ' N ' ' CG2' ' A' ' 29' ' ' THR . 53.3 mt-30 -75.38 -30.1 60.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 33' ' ' ARG . 2.5 t60 -73.49 -52.93 11.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.461 HE21 ' HB3' ' A' ' 32' ' ' GLN . 1.8 mm100 -33.92 -33.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -43.38 -49.18 7.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 33' ' ' ARG . 33.2 m -35.79 -33.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.421 ' N ' ' O ' ' A' ' 33' ' ' ARG . 31.5 m-70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.833 0.349 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -155.93 149.21 24.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.6 t -76.88 128.73 35.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -84.75 27.01 0.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 95.0 t -131.99 -48.62 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -112.88 -8.25 13.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 63.59 48.23 3.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -98.82 148.81 23.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.75 144.1 27.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.081 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.612 ' CE1' HD13 ' A' ' 28' ' ' LEU . 88.5 m-85 -134.49 133.73 40.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.2 m -53.31 -39.97 64.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -135.59 175.51 9.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.843 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.419 ' O ' ' N ' ' A' ' 28' ' ' LEU . 24.7 p-80 -70.46 -54.6 11.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.82 -36.35 1.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 m -67.46 -35.79 79.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.612 HD13 ' CE1' ' A' ' 22' ' ' PHE . 21.9 tp -82.02 -52.59 6.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.949 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 t -46.65 -37.09 7.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -76.89 -52.49 9.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.802 ' O ' HG22 ' A' ' 34' ' ' VAL . 3.1 t60 -52.14 -49.87 62.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 31' ' ' HIS . 29.8 mm-40 -34.7 -46.24 0.28 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 34' ' ' VAL . 2.1 mpt_? -41.05 -48.73 3.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.802 HG22 ' O ' ' A' ' 31' ' ' HIS . 33.8 m -33.81 -37.94 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.174 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.405 ' N ' ' O ' ' A' ' 33' ' ' ARG . 22.9 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 p -83.01 90.73 7.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.91 0.386 . . . . 0.0 110.868 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -124.4 -50.58 1.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.71 114.23 4.82 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.499 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.3 p -139.14 139.62 37.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.925 0.393 . . . . 0.0 110.849 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 7' ' ' GLY . 92.7 p -92.34 42.15 1.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 37.54 46.61 1.54 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.531 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 7' ' ' GLY . 76.2 p -36.99 -44.05 0.49 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.801 0.334 . . . . 0.0 111.099 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -165.98 138.38 5.19 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.485 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -111.66 -13.65 13.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.88 0.371 . . . . 0.0 110.869 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.464 ' HG3' ' HB1' ' A' ' 21' ' ' ALA . 67.8 mmtt -146.19 148.33 34.6 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.614 0.721 . . . . 0.0 110.904 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.51 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.3 Cg_endo -69.78 -11.74 31.44 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.687 2.258 . . . . 0.0 112.356 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.528 ' HB3' HD22 ' A' ' 28' ' ' LEU . 28.7 m-85 -136.57 119.46 16.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -140.29 129.01 23.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.8 t -64.82 129.13 38.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -84.85 23.4 1.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.822 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.3 t -125.88 -54.65 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.126 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.2 p -110.49 -1.33 17.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.454 ' HD3' ' N ' ' A' ' 19' ' ' ARG . 1.9 mpp_? 60.59 47.37 8.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -85.22 169.55 13.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.464 ' HB1' ' HG3' ' A' ' 11' ' ' LYS . . . -130.31 128.58 41.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -124.34 162.97 22.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.893 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 31.5 p -89.69 -45.93 8.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.608 ' CD2' ' HB3' ' A' ' 26' ' ' ALA . 39.0 t60 -98.23 155.75 17.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.512 ' HB2' ' CZ ' ' A' ' 13' ' ' TYR . 3.0 t60 -64.94 -55.39 19.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.608 ' HB3' ' CD2' ' A' ' 24' ' ' HIS . . . -47.79 -48.97 30.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.8 m -43.17 -29.62 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.528 HD22 ' HB3' ' A' ' 13' ' ' TYR . 39.8 tp -79.44 -54.86 5.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.468 HG22 ' O ' ' A' ' 26' ' ' ALA . 2.7 t -58.83 -22.37 58.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -84.95 -46.8 10.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.807 ' O ' HG22 ' A' ' 34' ' ' VAL . 11.1 t60 -57.97 -45.87 86.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 31' ' ' HIS . 46.0 mt-30 -36.53 -30.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 31' ' ' HIS . 45.6 mtt-85 -48.36 -53.4 17.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.807 HG22 ' O ' ' A' ' 31' ' ' HIS . 21.3 m -38.76 -26.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' A' ' 33' ' ' ARG . 38.8 m-70 -101.95 139.6 37.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.6 t -62.28 -53.74 50.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.49 163.04 6.65 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.447 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.7 mp0 -96.85 81.33 3.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.859 0.362 . . . . 0.0 110.886 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -139.07 144.17 39.86 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.613 0.721 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 166.38 27.87 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.687 2.258 . . . . 0.0 112.313 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.5 t -68.1 129.48 40.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -107.76 -171.01 21.82 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.463 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 99.55 0.75 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.685 2.257 . . . . 0.0 112.343 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.9 p -52.11 150.05 4.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 t -81.02 158.02 25.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 CA-C-O 119.15 -0.805 . . . . 0.0 112.478 -179.907 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.9 p -162.89 131.82 4.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.361 . . . . 0.0 110.856 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.2 p -134.49 156.01 49.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.59 63.44 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 t -124.75 111.93 16.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.942 0.401 . . . . 0.0 110.872 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.3 m -105.07 84.18 2.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.859 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.51 -118.7 1.1 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.456 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.6 t -64.34 149.45 48.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.791 0.329 . . . . 0.0 111.203 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 173.18 176.68 41.88 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.488 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -106.19 -24.16 12.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.919 0.39 . . . . 0.0 110.893 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.479 ' HD3' ' HB1' ' A' ' 21' ' ' ALA . 42.2 mttm -111.08 80.99 2.53 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.602 0.715 . . . . 0.0 110.875 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.459 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 54.2 Cg_endo -69.71 2.56 3.4 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.7 2.267 . . . . 0.0 112.35 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.532 ' CE2' ' HB3' ' A' ' 25' ' ' HIS . 47.9 m-85 -111.55 127.61 55.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -149.98 141.96 23.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.845 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.9 t -83.56 133.66 34.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.816 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -91.1 26.59 2.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 82.3 t -131.69 -43.63 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -118.09 -7.21 10.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? 61.71 46.94 6.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -97.55 142.45 29.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.479 ' HB1' ' HD3' ' A' ' 11' ' ' LYS . . . -107.91 133.89 51.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -121.48 157.61 30.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.7 t -77.46 -47.78 18.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -104.59 178.15 4.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.532 ' HB3' ' CE2' ' A' ' 13' ' ' TYR . 14.9 p80 -87.41 -55.74 3.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.838 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.432 ' N ' ' CG ' ' A' ' 25' ' ' HIS . . . -40.42 -24.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 25' ' ' HIS . 25.4 p -69.61 -47.07 64.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 55.2 tp -73.33 -54.38 8.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.4 t -42.88 -37.57 1.88 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.167 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.0 tm0? -83.75 -63.23 1.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.868 ' O ' HG22 ' A' ' 34' ' ' VAL . 8.5 t60 -39.5 -57.36 1.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 31' ' ' HIS . 10.2 mm-40 -34.49 -39.35 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 35' ' ' HIS . 71.1 mtp180 -44.48 -55.7 4.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.868 HG22 ' O ' ' A' ' 31' ' ' HIS . 35.9 m -36.36 -32.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.427 ' N ' ' O ' ' A' ' 33' ' ' ARG . 28.2 m-70 -89.41 106.03 18.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.818 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.2 m -79.71 91.04 5.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.85 -178.06 12.78 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.45 ' O ' ' CD ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -101.64 40.93 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.929 0.395 . . . . 0.0 110.909 -179.845 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -164.15 143.91 6.33 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.526 0.679 . . . . 0.0 110.94 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -7.33 20.78 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.655 2.237 . . . . 0.0 112.37 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.5 m 56.67 41.62 28.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.821 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 130.83 162.63 10.72 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.488 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -24.91 29.33 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.666 2.244 . . . . 0.0 112.365 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 85.2 p 43.15 41.99 3.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.0 m -103.23 128.79 50.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.86 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.169 -0.795 . . . . 0.0 112.472 -179.978 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.7 m -39.49 -44.34 1.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.881 0.372 . . . . 0.0 110.848 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.3 p -91.52 106.15 18.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.812 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.41 114.13 0.59 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -147.36 148.65 31.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 0.0 110.848 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.5 m -115.65 137.16 52.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.06 -76.5 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.563 ' O ' HG22 ' A' ' 8' ' ' THR . 17.6 m 67.35 37.28 3.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 0.0 111.143 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.59 87.7 0.89 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.528 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.419 ' C ' ' HD2' ' A' ' 11' ' ' LYS . 32.7 mt-10 -103.61 -24.25 13.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.968 0.413 . . . . 0.0 110.913 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.419 ' HD2' ' C ' ' A' ' 10' ' ' GLU . 1.5 mptp? -140.29 147.02 48.26 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.545 0.688 . . . . 0.0 110.885 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.417 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.4 Cg_endo -69.82 -2.43 10.2 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.684 2.256 . . . . 0.0 112.312 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.565 ' CE2' ' N ' ' A' ' 25' ' ' HIS . 2.5 m-85 -113.57 106.52 14.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -135.34 140.52 45.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -77.21 173.56 11.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -113.13 -49.16 2.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.45 ' HB ' ' CD2' ' A' ' 35' ' ' HIS . 98.5 t -61.3 -57.9 10.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.144 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.4 p -93.04 -23.13 18.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 39.7 mmm-85 64.24 50.64 2.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 48.1 tttp -97.24 150.7 20.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.94 130.07 49.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -119.32 164.67 15.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.3 p -113.36 36.36 3.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 25' ' ' HIS . 1.1 t-80 -170.65 112.54 0.41 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.837 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.565 ' N ' ' CE2' ' A' ' 13' ' ' TYR . 18.1 p80 -37.74 -43.13 0.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.837 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.82 -52.22 64.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.07 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.9 t -43.96 -28.1 0.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.0 tp -83.2 -53.67 5.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.967 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.4 t -59.32 -18.18 35.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -94.41 -54.54 3.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.458 ' O ' ' N ' ' A' ' 33' ' ' ARG . 7.8 t60 -51.43 -42.97 61.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.822 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -40.14 -25.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' HIS . 49.9 mtp85 -50.81 -45.74 59.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.821 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 20.3 m -43.86 -37.58 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.45 ' CD2' ' HB ' ' A' ' 17' ' ' VAL . 42.7 m-70 -93.06 126.15 38.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 39.0 p -117.49 108.5 15.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.11 89.92 0.18 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.504 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.8 tm-20 -75.04 -3.59 33.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.911 0.386 . . . . 0.0 110.896 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.7 pttm -116.34 80.78 10.15 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.562 0.696 . . . . 0.0 110.952 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -43.21 2.81 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 93.0 p -122.15 148.56 44.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.816 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.55 -158.67 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -8.03 22.55 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.344 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 92.4 p -48.02 127.16 11.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.7 m -127.0 179.09 5.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.141 -0.81 . . . . 0.0 112.508 -179.96 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -116.3 109.24 17.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 110.84 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.8 p -40.13 152.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.841 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.87 -66.93 2.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.447 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.8 p 38.42 42.63 0.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.833 0.349 . . . . 0.0 110.861 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.5 p -67.0 -53.56 30.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.98 141.73 6.27 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.548 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 80.5 p -118.74 135.94 54.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.785 0.326 . . . . 0.0 111.138 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 137.21 -159.63 24.77 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.502 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -96.52 42.18 1.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.945 0.402 . . . . 0.0 110.901 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.533 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 11.4 ptmt -124.81 49.01 2.85 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.582 0.706 . . . . 0.0 110.876 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.3 Cg_endo -69.72 1.53 4.33 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.711 2.274 . . . . 0.0 112.358 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.449 ' C ' ' OE1' ' A' ' 14' ' ' GLU . 24.2 m-85 -120.02 121.96 40.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.449 ' OE1' ' C ' ' A' ' 13' ' ' TYR . 1.4 mp0 -134.05 158.0 44.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.1 t -95.1 133.63 38.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -87.33 24.87 1.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.0 t -131.55 -49.69 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.075 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.4 p -112.34 -5.14 14.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 59.37 48.35 10.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -106.99 135.8 47.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.432 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -94.22 138.79 31.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.079 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -124.95 147.27 48.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.9 m -63.98 -47.52 80.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.844 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -115.67 147.16 41.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.818 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.472 ' O ' ' N ' ' A' ' 28' ' ' LEU . 5.9 t-80 -53.44 -58.73 6.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 25' ' ' HIS . . . -33.94 -53.5 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.062 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -48.66 -43.76 36.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.868 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 25' ' ' HIS . 15.7 tp -76.25 -42.69 44.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.909 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.1 m -55.22 -48.62 73.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.161 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -74.03 -46.79 41.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.868 ' O ' HG22 ' A' ' 34' ' ' VAL . 8.9 t60 -49.22 -41.03 35.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -44.13 -28.95 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 51.9 mtm180 -55.63 -46.94 77.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.868 HG22 ' O ' ' A' ' 31' ' ' HIS . 32.6 m -40.75 -28.68 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.51 ' CE1' HG23 ' A' ' 34' ' ' VAL . 22.1 m-70 -98.29 76.84 2.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.85 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 37' ' ' GLY . 1.1 t -82.14 -70.21 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.822 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 36' ' ' SER . . . 35.73 81.6 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.497 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -94.79 37.13 1.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.935 0.398 . . . . 0.0 110.873 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.9 mtmm -163.18 144.09 7.35 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.539 0.685 . . . . 0.0 110.931 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 101.16 0.87 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.639 2.226 . . . . 0.0 112.37 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.4 m -125.47 -55.27 1.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.821 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.79 -90.15 1.43 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 135.49 30.69 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.638 2.225 . . . . 0.0 112.347 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.8 t -94.34 -60.54 1.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.7 m -61.81 -43.81 98.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 CA-C-O 119.112 -0.827 . . . . 0.0 112.472 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.8 m -150.01 157.84 43.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.889 0.376 . . . . 0.0 110.835 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.1 p -89.82 162.78 15.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.896 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.68 162.85 17.87 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.488 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 t -157.05 137.69 13.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.907 0.384 . . . . 0.0 110.863 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.9 p -51.15 -44.55 61.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.842 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.57 107.64 0.57 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.9 m -75.71 83.74 2.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.806 0.336 . . . . 0.0 111.169 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -177.04 76.58 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.464 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 11' ' ' LYS . 5.3 tp10 -102.57 -26.92 13.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 0.0 110.887 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 10' ' ' GLU . 2.1 mptp? -35.26 144.86 0.22 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.556 0.693 . . . . 0.0 110.923 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.546 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.8 -16.3 37.32 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.717 2.278 . . . . 0.0 112.376 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.546 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 26.0 m-85 -131.02 130.98 44.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -153.45 147.81 25.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.2 t -72.79 174.21 8.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -113.39 -30.04 7.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 93.3 t -83.07 -51.3 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.6 p -109.26 2.12 20.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 42.32 43.81 3.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -81.65 143.09 32.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.39 141.18 28.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.085 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.457 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 60.1 m-85 -133.31 -33.78 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.1 m 59.58 31.29 20.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.872 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.412 ' O ' ' N ' ' A' ' 27' ' ' SER . 2.1 t-80 -165.18 110.16 0.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.451 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 28.4 p-80 -43.45 -45.3 6.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.835 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.433 ' N ' ' CG ' ' A' ' 25' ' ' HIS . . . -63.6 -31.68 72.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.457 ' CB ' ' HB3' ' A' ' 22' ' ' PHE . 53.8 m -73.42 -30.92 63.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.881 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.3 tp -83.48 -45.28 13.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 t -54.92 -34.28 62.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.173 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.423 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 55.2 mt-30 -78.67 -54.2 6.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.837 ' O ' HG22 ' A' ' 34' ' ' VAL . 38.7 t60 -52.34 -51.55 58.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -38.55 -27.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.485 ' N ' ' O ' ' A' ' 31' ' ' HIS . 3.0 mmp_? -54.12 -47.15 72.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.837 HG22 ' O ' ' A' ' 31' ' ' HIS . 29.8 m -52.06 -18.08 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.445 ' O ' ' C ' ' A' ' 36' ' ' SER . 50.5 m-70 -107.36 80.96 1.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 35' ' ' HIS . 23.0 m -34.62 130.09 0.4 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.63 121.19 1.09 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.479 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 51.4 45.11 28.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.912 0.387 . . . . 0.0 110.898 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -134.32 151.18 75.85 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.546 0.689 . . . . 0.0 110.921 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 159.73 52.37 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.677 2.252 . . . . 0.0 112.376 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.0 t -128.73 -74.57 0.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 131.23 -91.04 0.29 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.452 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 100.67 0.84 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.651 2.234 . . . . 0.0 112.319 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.2 p -69.16 85.03 0.36 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.845 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 t -137.44 146.89 44.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.106 -0.83 . . . . 0.0 112.515 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 1' ' ' GLY . 25.1 p 35.64 42.19 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.849 0.357 . . . . 0.0 110.887 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.4 m -46.73 -48.85 20.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.823 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.41 76.32 1.22 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.461 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.4 p -116.4 109.85 17.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.843 0.354 . . . . 0.0 110.893 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.7 m -102.27 123.13 45.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.13 -47.52 1.02 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.508 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.8 p -72.73 105.33 4.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.811 0.339 . . . . 0.0 111.151 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.94 -168.78 28.37 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.439 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -65.47 129.98 41.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.913 0.387 . . . . 0.0 110.897 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.0 mttt -130.06 79.25 73.31 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.501 0.667 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.559 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.1 Cg_endo -69.76 -18.0 37.25 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.664 2.243 . . . . 0.0 112.377 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.559 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 28.4 m-85 -116.81 150.08 38.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -173.32 142.31 0.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.3 t -73.91 178.13 5.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -117.15 -43.9 2.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.656 HG21 ' HB3' ' A' ' 35' ' ' HIS . 97.7 t -65.39 -49.08 80.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.157 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.9 p -105.36 -23.06 12.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? 65.18 49.6 1.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.471 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 37.9 tttp -95.08 155.29 16.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.18 149.5 21.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.089 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 23.1 m-85 -144.86 156.69 44.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.4 m -77.1 -56.64 4.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 15.4 t-80 -107.39 162.91 13.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.449 ' O ' ' C ' ' A' ' 26' ' ' ALA . 28.6 t60 -60.86 -56.34 22.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 25' ' ' HIS . . . -33.59 -61.99 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 t -40.85 -43.97 2.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 25' ' ' HIS . 15.8 tp -76.06 -42.09 48.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.96 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.3 m -58.67 -59.07 5.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.186 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -60.45 -47.68 85.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.63 ' O ' HG22 ' A' ' 34' ' ' VAL . 30.1 t60 -52.17 -52.21 53.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -37.23 -28.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' HIS . 26.3 mmm180 -51.23 -50.23 59.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.63 HG22 ' O ' ' A' ' 31' ' ' HIS . 28.9 m -43.88 -24.78 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.656 ' HB3' HG21 ' A' ' 17' ' ' VAL . 47.5 m-70 -101.83 147.13 26.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.824 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 37' ' ' GLY . 81.2 p -127.54 90.0 3.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 36' ' ' SER . . . 34.68 48.71 0.7 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -88.08 132.36 34.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.913 0.387 . . . . 0.0 110.85 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.35 152.01 39.79 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.542 0.687 . . . . 0.0 110.922 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 114.86 3.86 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.627 2.218 . . . . 0.0 112.361 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.7 m -119.81 -58.39 1.89 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 126.9 85.03 0.52 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.504 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 167.08 25.48 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.696 2.264 . . . . 0.0 112.344 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.8 t -108.89 142.36 39.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 59.7 p -81.53 140.68 34.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.84 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.091 -0.838 . . . . 0.0 112.504 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.4 p -139.87 136.02 33.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.917 0.389 . . . . 0.0 110.838 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 4' ' ' GLY . 70.4 m -102.99 42.07 1.19 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.828 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 35.75 75.41 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.502 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 t -150.51 112.63 4.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.911 0.386 . . . . 0.0 110.842 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.5 t -101.76 -57.02 2.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.31 41.35 3.24 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.484 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 42.1 p -145.48 129.75 17.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.81 0.338 . . . . 0.0 111.131 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 131.25 -102.91 0.53 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.47 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.2 mp0 -86.53 149.75 24.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.965 0.412 . . . . 0.0 110.873 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.615 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 28.4 mttt 55.4 43.98 1.48 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.581 0.705 . . . . 0.0 110.863 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.615 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.74 2.83 3.17 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.679 2.253 . . . . 0.0 112.355 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.517 ' CE2' ' HG2' ' A' ' 12' ' ' PRO . 39.4 m-85 -121.84 129.16 52.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -154.86 144.51 21.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -69.17 179.64 1.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -121.55 -49.06 2.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 99.5 t -62.11 -51.35 73.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.098 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.6 p -99.69 -20.88 16.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 62.91 50.5 3.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.4 tttp -92.73 150.23 20.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.45 143.19 29.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.1 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -137.0 149.32 47.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.5 t -88.37 -45.25 10.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -100.95 124.35 46.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 13' ' ' TYR . 36.9 p-80 -41.04 -43.94 2.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.447 ' O ' HG22 ' A' ' 29' ' ' THR . . . -51.85 -53.04 44.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.067 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.0 m -41.44 -29.48 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.464 HD22 ' HB3' ' A' ' 13' ' ' TYR . 44.2 tp -81.89 -58.85 2.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.447 HG22 ' O ' ' A' ' 26' ' ' ALA . 1.4 t -50.66 -21.25 1.5 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.108 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -92.72 -52.04 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.819 ' O ' HG22 ' A' ' 34' ' ' VAL . 11.1 t60 -58.28 -47.3 84.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -38.23 -28.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.962 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 31' ' ' HIS . 57.8 mtp180 -49.45 -54.0 19.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.819 HG22 ' O ' ' A' ' 31' ' ' HIS . 26.1 m -40.42 -26.06 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.516 ' CE1' HG23 ' A' ' 34' ' ' VAL . 16.8 m-70 -106.28 78.4 1.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 t -144.18 152.56 41.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -71.65 115.65 5.7 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.439 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -100.83 161.91 13.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.928 0.394 . . . . 0.0 110.874 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -112.28 79.49 2.94 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.58 0.705 . . . . 0.0 110.94 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -18.16 37.26 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.687 2.258 . . . . 0.0 112.383 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.9 p -158.92 146.55 17.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.832 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 159.22 -158.64 29.69 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.513 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 167.05 25.55 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.668 2.245 . . . . 0.0 112.325 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.3 t -80.34 48.49 1.03 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.1 m -148.44 108.69 4.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.866 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.478 -179.961 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.6 p -106.42 159.54 16.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.914 0.387 . . . . 0.0 110.866 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.4 p -80.95 45.69 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.814 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.08 -42.42 94.54 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.485 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.0 p -94.39 91.59 6.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.867 0.365 . . . . 0.0 110.892 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.4 m -108.3 96.38 6.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.885 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.53 -139.82 11.05 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.9 m -121.32 140.72 51.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.816 0.341 . . . . 0.0 111.149 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -168.55 85.92 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.542 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -121.8 175.49 6.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.859 0.361 . . . . 0.0 110.907 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -174.68 155.9 2.09 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.594 0.712 . . . . 0.0 110.897 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.553 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.4 Cg_endo -69.67 -24.85 29.61 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.698 2.265 . . . . 0.0 112.391 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.553 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 2.4 m-85 -138.34 156.04 47.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.968 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.438 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 21.5 tt0 -174.76 147.76 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.438 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 1.8 t -86.4 122.26 30.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.446 ' O ' ' NH1' ' A' ' 19' ' ' ARG . 2.1 t70 -80.86 14.08 2.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.6 t -117.0 -39.44 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.6 p -121.03 -5.39 9.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 16' ' ' ASP . 8.1 mpt_? 62.27 43.53 8.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.818 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -91.34 -180.0 5.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.43 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -135.37 147.66 49.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.43 ' CD1' ' C ' ' A' ' 21' ' ' ALA . 14.6 m-85 -141.09 171.96 13.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.0 t -106.18 -44.07 4.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.851 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -95.91 120.72 36.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -38.77 -55.92 1.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.483 ' O ' HG22 ' A' ' 29' ' ' THR . . . -51.0 -53.53 32.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 68.6 m -38.81 -28.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.548 HD22 ' HB3' ' A' ' 13' ' ' TYR . 43.6 tp -79.37 -56.37 4.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.483 HG22 ' O ' ' A' ' 26' ' ' ALA . 4.1 t -56.89 -20.13 21.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -90.24 -35.54 15.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -67.66 -50.59 57.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 33' ' ' ARG . 29.4 mt-30 -39.84 -35.9 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 32' ' ' GLN . 16.3 mmt180 -37.78 -53.75 1.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.498 HG23 ' N ' ' A' ' 35' ' ' HIS . 17.9 m -37.46 -44.16 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.498 ' N ' HG23 ' A' ' 34' ' ' VAL . 19.6 m-70 -81.95 123.78 29.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.9 t -121.38 -54.01 2.0 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.81 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 178.7 -28.21 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.493 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 58.43 41.39 22.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.881 0.372 . . . . 0.0 110.917 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.487 ' CD ' ' HD2' ' A' ' 40' ' ' PRO . 2.0 tppp? -41.53 136.38 1.9 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.568 0.699 . . . . 0.0 110.914 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.487 ' HD2' ' CD ' ' A' ' 39' ' ' LYS . 53.9 Cg_endo -69.69 84.27 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.339 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.4 m -55.16 170.03 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.866 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 177.59 -83.79 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.49 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 134.72 28.63 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.679 2.253 . . . . 0.0 112.367 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 59.9 p -77.72 163.85 25.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.8 m 60.95 45.57 9.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.087 -0.841 . . . . 0.0 112.45 -179.965 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.7 m -82.93 114.11 20.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.814 0.34 . . . . 0.0 110.889 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 m -96.09 92.2 6.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.37 148.4 16.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.455 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -55.48 94.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.878 0.371 . . . . 0.0 110.835 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.4 p -62.49 -48.58 78.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.39 -176.36 48.27 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.519 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.5 p -99.2 135.03 41.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.832 0.349 . . . . 0.0 111.124 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 153.65 51.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.445 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -63.27 -24.16 67.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.941 0.401 . . . . 0.0 110.859 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.48 ' HD3' ' HB1' ' A' ' 21' ' ' ALA . 16.6 mtpp -159.67 159.53 27.82 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.558 0.694 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.542 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.5 Cg_endo -69.79 -17.41 37.43 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.676 2.251 . . . . 0.0 112.342 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.659 ' CE1' ' CB ' ' A' ' 25' ' ' HIS . 7.2 m-85 -126.81 113.29 16.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.942 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.464 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 23.6 tt0 -149.08 149.46 31.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.464 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 49.1 t -89.84 129.13 36.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -85.27 24.41 1.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.0 t -128.36 -48.86 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.101 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.6 p -113.18 -8.66 13.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.4 mmt85 61.94 48.5 5.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -100.33 127.9 46.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.48 ' HB1' ' HD3' ' A' ' 11' ' ' LYS . . . -88.42 146.59 25.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -133.14 149.0 52.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.7 t -68.42 -54.52 16.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -97.94 166.42 11.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.659 ' CB ' ' CE1' ' A' ' 13' ' ' TYR . 6.6 p80 -75.26 -44.08 47.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.859 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.485 ' N ' ' CG ' ' A' ' 25' ' ' HIS . . . -51.64 -52.72 45.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -42.62 -28.55 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.0 tp -79.32 -58.41 3.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.441 HG22 ' O ' ' A' ' 26' ' ' ALA . 1.4 t -52.79 -19.9 2.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.16 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.45 ' C ' ' OE1' ' A' ' 30' ' ' GLN . 1.4 tm0? -89.96 -51.51 5.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.85 ' O ' HG22 ' A' ' 34' ' ' VAL . 4.5 t60 -52.63 -45.48 66.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 31' ' ' HIS . 42.6 mm-40 -35.49 -32.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 31' ' ' HIS . 21.2 mtp85 -48.71 -53.98 16.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.85 HG22 ' O ' ' A' ' 31' ' ' HIS . 26.8 m -39.08 -26.55 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.133 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' ' 33' ' ' ARG . 67.4 m-70 -105.45 162.35 13.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.822 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.6 t -112.17 135.31 52.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.54 70.18 0.4 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.504 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 58.27 43.22 20.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.921 0.391 . . . . 0.0 110.892 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.484 ' CD ' ' HD2' ' A' ' 40' ' ' PRO . 0.4 OUTLIER -111.17 136.31 20.88 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.588 0.709 . . . . 0.0 110.913 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.484 ' HD2' ' CD ' ' A' ' 39' ' ' LYS . 53.8 Cg_endo -69.81 -48.08 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.684 2.256 . . . . 0.0 112.341 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.6 m -53.71 -43.94 69.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.25 -169.93 26.3 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.497 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 175.65 7.87 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.702 2.268 . . . . 0.0 112.32 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.7 t -118.12 137.09 53.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 92.5 p -150.53 137.47 19.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.909 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.163 -0.798 . . . . 0.0 112.479 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.434 -0.266 . . . . 0.0 112.434 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 t 68.53 42.46 1.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 110.872 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -57.52 97.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.831 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.44 40.06 2.99 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.515 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 6' ' ' SER . 3.3 p -59.7 -43.28 94.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.897 0.38 . . . . 0.0 110.867 -179.722 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 5' ' ' SER . 87.4 p 34.38 44.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -35.42 140.19 0.19 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.507 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.2 m -47.6 -60.88 2.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.817 0.341 . . . . 0.0 111.146 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 177.2 -134.02 2.39 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.486 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -141.93 149.53 40.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.866 0.365 . . . . 0.0 110.919 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.471 ' NZ ' ' HB2' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -94.85 151.39 38.95 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.589 0.709 . . . . 0.0 110.904 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.457 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.74 -24.79 29.37 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.664 2.243 . . . . 0.0 112.351 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.545 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 4.4 m-85 -125.58 112.72 16.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.952 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.446 ' CD ' ' O ' ' A' ' 15' ' ' CYS . 5.9 tm-20 -142.48 117.84 10.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.861 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.446 ' O ' ' CD ' ' A' ' 14' ' ' GLU . 3.3 t -43.28 166.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -106.12 -34.28 7.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.82 HG21 ' HB3' ' A' ' 35' ' ' HIS . 77.7 t -80.44 -62.85 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.106 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.0 p -85.41 -20.84 29.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.22 45.4 6.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.2 tttt -92.34 157.09 16.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.471 ' HB2' ' NZ ' ' A' ' 11' ' ' LYS . . . -102.54 144.07 31.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -132.79 157.05 45.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 m -79.59 -46.24 17.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.618 ' CD2' ' HB2' ' A' ' 27' ' ' SER . 0.5 OUTLIER -110.04 140.52 43.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.89 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.545 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 43.8 t-80 -48.76 -51.58 28.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 28' ' ' LEU . . . -44.62 -58.46 3.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.618 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 1.1 t -38.22 -26.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.834 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 26' ' ' ALA . 30.1 tp -82.22 -58.62 2.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.43 HG22 ' O ' ' A' ' 26' ' ' ALA . 2.3 t -52.49 -29.23 23.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -79.26 -59.54 2.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 33' ' ' ARG . 11.3 t60 -53.5 -48.39 69.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' A' ' 31' ' ' HIS . 56.3 mt-30 -34.3 -34.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 31' ' ' HIS . 14.4 mtp85 -41.59 -49.45 4.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.437 HG23 ' N ' ' A' ' 35' ' ' HIS . 23.8 m -41.32 -40.81 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.82 ' HB3' HG21 ' A' ' 17' ' ' VAL . 44.7 m-70 -88.37 42.25 1.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.7 m -124.16 123.0 39.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.29 -136.85 22.94 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.466 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -75.37 152.13 38.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.974 0.416 . . . . 0.0 110.858 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.99 144.07 44.09 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.565 0.697 . . . . 0.0 110.931 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 2.71 3.29 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.675 2.25 . . . . 0.0 112.312 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.2 t -73.77 149.06 41.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.39 -158.3 0.12 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.475 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 128.71 16.41 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.682 2.255 . . . . 0.0 112.357 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.6 m -48.44 161.09 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.854 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.1 t -147.75 169.39 19.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.084 -0.842 . . . . 0.0 112.493 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.9 m -74.93 86.1 2.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.821 0.343 . . . . 0.0 110.853 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.8 p -115.49 92.91 4.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -176.81 -151.4 8.95 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.524 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 4' ' ' GLY . 24.2 t -37.15 148.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.9 0.381 . . . . 0.0 110.848 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.9 p -93.04 -46.57 7.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.07 -175.9 44.59 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.554 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.594 HG23 ' O ' ' A' ' 8' ' ' THR . 6.0 t -123.19 83.9 2.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.857 0.36 . . . . 0.0 111.13 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 152.8 110.26 0.42 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.518 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -127.49 -28.65 2.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.889 0.376 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.8 mttt -148.5 150.27 33.53 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.562 0.696 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -18.06 37.55 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.674 2.25 . . . . 0.0 112.354 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.484 ' CD1' ' HA ' ' A' ' 25' ' ' HIS . 11.9 m-85 -107.07 87.47 2.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -123.31 137.24 54.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.406 ' HA ' HD11 ' A' ' 28' ' ' LEU . 6.9 t -74.75 131.05 40.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -87.0 19.72 2.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.729 HG11 ' CG ' ' A' ' 35' ' ' HIS . 97.8 t -120.11 -54.13 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.4 p -109.64 -5.17 15.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.457 ' N ' ' HD2' ' A' ' 19' ' ' ARG . 4.9 mpt_? 62.46 48.25 4.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.881 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -91.25 -178.04 5.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.98 136.8 42.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -132.63 149.98 52.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.9 m -74.72 -53.02 10.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.855 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -93.17 145.48 24.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.498 ' CG ' ' N ' ' A' ' 26' ' ' ALA . 26.9 p-80 -55.14 -47.05 75.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.498 ' N ' ' CG ' ' A' ' 25' ' ' HIS . . . -57.86 -50.09 74.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 m -41.61 -24.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 26' ' ' ALA . 57.6 tp -86.59 -54.14 4.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.486 HG22 ' HA ' ' A' ' 26' ' ' ALA . 5.0 t -59.64 -28.41 67.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.135 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.471 ' HG3' ' N ' ' A' ' 31' ' ' HIS . 10.0 pt20 -74.39 -39.74 62.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.698 ' O ' HG22 ' A' ' 34' ' ' VAL . 6.6 t60 -72.31 -45.9 58.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 31' ' ' HIS . 73.8 mt-30 -34.47 -34.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.885 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 35' ' ' HIS . 46.5 mtp180 -47.32 -50.32 22.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.698 HG22 ' O ' ' A' ' 31' ' ' HIS . 34.9 m -38.58 -27.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.729 ' CG ' HG11 ' A' ' 17' ' ' VAL . 41.3 m-70 -99.15 114.57 27.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 35' ' ' HIS . 36.7 p -37.35 130.8 0.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -113.35 -163.32 15.37 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.495 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 39.98 41.96 1.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.951 0.405 . . . . 0.0 110.894 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.451 ' HD2' ' N ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -68.06 144.01 96.62 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.599 0.714 . . . . 0.0 110.861 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -10.02 27.53 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.688 2.259 . . . . 0.0 112.367 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.451 ' N ' ' HD2' ' A' ' 39' ' ' LYS . 23.2 t 67.06 43.41 2.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -47.44 146.86 4.06 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.528 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 2.4 3.56 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.72 2.28 . . . . 0.0 112.311 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.5 m 49.32 40.47 18.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 63.0 m 41.76 41.6 1.85 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 CA-C-O 119.114 -0.826 . . . . 0.0 112.458 179.969 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.4 t -165.35 147.55 7.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.89 0.376 . . . . 0.0 110.838 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.2 p -150.93 176.8 10.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.834 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.68 88.58 0.23 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.437 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.9 p -75.46 153.0 37.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.881 0.372 . . . . 0.0 110.833 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.6 p -115.77 42.16 2.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.848 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.51 -164.12 30.13 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.435 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.563 ' O ' HG22 ' A' ' 8' ' ' THR . 20.6 m 45.77 40.06 5.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.851 0.357 . . . . 0.0 111.145 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 124.55 151.51 8.11 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.504 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -119.07 123.81 45.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.912 0.387 . . . . 0.0 110.897 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.547 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 8.8 ptmt -127.13 48.14 3.05 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.555 0.693 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 54.1 Cg_endo -69.75 1.71 4.18 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.676 2.251 . . . . 0.0 112.367 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.512 ' CD2' ' HA ' ' A' ' 25' ' ' HIS . 29.4 m-85 -99.36 136.9 38.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 60.8 tt0 -153.54 146.85 24.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.863 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.9 t -74.95 179.04 5.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -121.45 -21.3 6.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 97.1 t -90.87 -44.88 14.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.16 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.1 p -115.43 -2.58 12.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.4 mmt85 50.47 46.52 25.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.5 tttm -79.81 170.99 15.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.03 140.8 49.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.082 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -136.78 167.22 21.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.3 p -123.0 35.55 4.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 25' ' ' HIS . 4.2 t-80 -172.65 115.37 0.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.512 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . 5.1 t-80 -34.44 -49.45 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.51 -47.08 80.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.072 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 24' ' ' HIS . 14.8 m -48.74 -19.16 0.33 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.483 HD22 ' HB3' ' A' ' 13' ' ' TYR . 46.6 tp -88.2 -53.47 4.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.479 ' CG2' ' N ' ' A' ' 30' ' ' GLN . 1.4 t -58.91 -42.66 90.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.479 ' N ' ' CG2' ' A' ' 29' ' ' THR . 9.6 pt20 -56.18 -40.89 74.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.651 ' O ' HG22 ' A' ' 34' ' ' VAL . 11.9 t60 -73.7 -48.45 31.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -38.58 -31.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -48.27 -46.68 36.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.651 HG22 ' O ' ' A' ' 31' ' ' HIS . 31.6 m -44.13 -39.55 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.42 ' N ' HG23 ' A' ' 34' ' ' VAL . 32.5 m-70 -87.77 36.91 0.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 93.4 p -92.01 -41.86 10.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 102.77 110.47 3.43 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.456 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -91.85 40.79 1.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.897 0.38 . . . . 0.0 110.87 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 47.5 pttt -159.39 152.63 18.57 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.558 0.694 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -3.1 11.34 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.633 2.222 . . . . 0.0 112.358 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.6 m -104.2 164.32 11.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 119.82 152.5 9.04 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.514 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -174.15 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.338 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.3 t -126.18 169.37 12.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.86 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.6 m -143.7 159.75 41.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.165 -0.797 . . . . 0.0 112.509 179.995 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t 46.49 41.67 9.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.854 0.359 . . . . 0.0 110.894 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.5 t -70.65 142.23 51.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.13 120.33 0.58 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.498 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.0 m -134.36 171.86 13.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.891 0.377 . . . . 0.0 110.868 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 m -82.36 82.62 7.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.836 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.8 100.97 0.16 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.477 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.2 m -83.3 118.37 23.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.835 0.35 . . . . 0.0 111.166 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 46.13 95.1 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.512 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -62.65 -175.1 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.908 0.385 . . . . 0.0 110.883 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.19 143.32 48.43 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.558 0.694 . . . . 0.0 110.889 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.504 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.77 -11.92 31.81 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.7 2.266 . . . . 0.0 112.35 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.504 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 8.6 m-85 -144.83 125.49 14.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -154.56 120.41 5.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.6 t -52.39 169.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -117.29 -29.98 5.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 94.7 t -75.8 -36.31 32.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.105 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.45 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 19.5 p -119.11 -17.54 8.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.6 mmt85 66.43 35.36 5.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.45 ' CG ' ' SG ' ' A' ' 18' ' ' CYS . 4.0 mmtm -73.76 178.76 4.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.4 ' C ' ' CG ' ' A' ' 22' ' ' PHE . . . -123.5 145.37 48.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.144 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.498 ' CD2' ' HB2' ' A' ' 28' ' ' LEU . 20.6 m-85 -156.08 113.28 3.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 82.6 p -56.98 -42.5 80.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.847 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 19.5 t-160 -105.5 127.46 53.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 28' ' ' LEU . 2.0 t-80 -42.51 -57.95 2.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.467 ' C ' ' O ' ' A' ' 25' ' ' HIS . . . -32.56 -59.32 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.124 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.6 m -43.59 -43.76 5.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.498 ' HB2' ' CD2' ' A' ' 22' ' ' PHE . 12.8 tp -76.41 -42.85 42.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.2 m -54.65 -47.72 73.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -74.34 -37.45 63.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.952 ' O ' HG22 ' A' ' 34' ' ' VAL . 5.6 t60 -59.85 -47.28 86.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.808 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 31' ' ' HIS . 11.9 mm100 -37.29 -31.95 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.882 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 35' ' ' HIS . 71.7 mtp180 -50.25 -49.18 53.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.952 HG22 ' O ' ' A' ' 31' ' ' HIS . 17.1 m -40.53 -26.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.439 ' N ' ' O ' ' A' ' 33' ' ' ARG . 20.8 m-70 -100.46 83.85 2.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.0 t -116.03 124.79 51.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -120.75 102.41 0.85 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.461 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -138.84 149.22 44.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.904 0.383 . . . . 0.0 110.877 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.2 152.24 2.76 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.603 0.716 . . . . 0.0 110.929 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -175.1 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.708 2.272 . . . . 0.0 112.305 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.1 m -52.37 -44.0 65.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -163.23 83.5 0.11 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.497 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 137.08 34.5 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.723 2.282 . . . . 0.0 112.337 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 t -174.62 112.55 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.812 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 79.1 p 42.09 42.73 2.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.484 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.8 t -53.15 -46.86 69.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.924 0.393 . . . . 0.0 110.84 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.8 t 45.04 42.33 6.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.37 53.69 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.525 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.3 t -87.16 -44.59 11.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.86 0.362 . . . . 0.0 110.895 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.2 p -86.54 142.45 28.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.35 150.18 8.12 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.469 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 22.7 m -124.84 114.25 18.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.832 0.349 . . . . 0.0 111.204 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 176.12 83.39 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -147.59 118.43 7.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.856 0.36 . . . . 0.0 110.901 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.8 157.36 57.44 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.616 0.722 . . . . 0.0 110.888 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.507 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 54.2 Cg_endo -69.78 2.26 3.71 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.689 2.259 . . . . 0.0 112.355 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.515 ' CE1' ' HB3' ' A' ' 25' ' ' HIS . 65.4 m-85 -122.54 136.07 54.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -163.86 141.9 7.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.9 t -82.07 124.54 29.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -82.93 18.64 1.56 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.7 t -118.65 -49.89 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.147 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.9 p -114.46 -4.5 12.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.414 ' HD3' ' N ' ' A' ' 19' ' ' ARG . 1.4 mpp_? 61.89 53.95 2.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.489 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 14.1 tttp -101.42 138.41 38.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.52 141.02 36.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.073 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.489 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 15.6 m-85 -137.09 179.43 6.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.8 m -93.57 -58.96 2.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -101.93 176.08 5.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.518 ' CG ' ' N ' ' A' ' 26' ' ' ALA . 27.0 p-80 -77.31 -53.45 7.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.518 ' N ' ' CG ' ' A' ' 25' ' ' HIS . . . -37.85 -39.92 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 95.3 p -61.02 -50.66 72.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.6 tp -68.45 -43.89 76.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.9 m -60.43 -51.62 68.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.489 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 10.7 mm100 -65.49 -32.37 73.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 32' ' ' GLN . 9.5 t60 -63.53 -55.43 23.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 31' ' ' HIS . 53.7 mt-30 -37.64 -33.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.489 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 11.3 mmt180 -40.79 -44.78 2.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.546 HG23 ' N ' ' A' ' 35' ' ' HIS . 20.6 m -50.21 -46.04 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.546 ' N ' HG23 ' A' ' 34' ' ' VAL . 46.1 m-70 -75.52 169.7 17.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.8 t -134.86 136.87 42.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -68.49 -46.34 63.31 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.478 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -115.18 139.41 49.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.955 0.407 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.7 tttm -118.48 134.41 23.46 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.606 0.717 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 85.3 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.652 2.235 . . . . 0.0 112.323 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.4 m -69.91 90.0 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -142.54 173.39 23.93 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.482 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -33.55 16.45 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.671 2.248 . . . . 0.0 112.329 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 26.1 p -80.51 47.21 0.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.1 p -138.8 125.2 20.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.815 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 CA-C-O 119.162 -0.799 . . . . 0.0 112.462 -179.987 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 1' ' ' GLY . 63.7 p 34.85 43.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.87 0.366 . . . . 0.0 110.822 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.4 m -77.32 88.06 3.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.44 54.58 0.65 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -111.98 136.22 51.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.915 0.388 . . . . 0.0 110.852 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.4 m -156.33 167.78 29.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.37 127.61 3.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 50.1 p -129.88 138.57 51.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.832 0.349 . . . . 0.0 111.156 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 73.0 41.49 48.18 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.471 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -116.17 82.48 1.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.932 0.396 . . . . 0.0 110.913 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.532 ' CD ' ' HB1' ' A' ' 21' ' ' ALA . 0.2 OUTLIER -145.05 152.78 52.18 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.588 0.709 . . . . 0.0 110.958 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.488 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.74 -5.3 15.85 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.726 2.284 . . . . 0.0 112.323 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.488 ' CE1' ' HG2' ' A' ' 12' ' ' PRO . 16.2 m-85 -104.31 113.0 26.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -148.86 161.07 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.9 t -98.4 145.58 26.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -89.55 20.49 3.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 99.8 t -133.62 -60.1 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.0 p -103.99 4.84 34.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.7 mmt85 50.03 36.88 12.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -82.74 130.07 35.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.532 ' HB1' ' CD ' ' A' ' 11' ' ' LYS . . . -92.32 136.32 33.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.108 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.546 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 20.9 m-85 -126.73 133.06 50.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.1 m -62.34 -47.36 84.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.436 ' O ' ' C ' ' A' ' 25' ' ' HIS . 1.8 t-80 -100.95 121.96 42.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 26' ' ' ALA . 24.9 t60 -34.49 -63.68 0.29 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 29' ' ' THR . . . -34.12 -65.59 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 26' ' ' ALA . 18.8 m -37.02 -43.23 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.819 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.546 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 14.6 tp -74.09 -41.26 61.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.881 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 26' ' ' ALA . 2.7 m -66.09 -60.09 3.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -54.54 -40.86 69.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.591 ' O ' HG22 ' A' ' 34' ' ' VAL . 8.1 t60 -53.55 -47.15 70.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 31' ' ' HIS . 80.1 mm-40 -34.61 -34.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 31' ' ' HIS . 37.8 mtp180 -43.37 -56.22 3.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.591 HG22 ' O ' ' A' ' 31' ' ' HIS . 35.3 m -34.22 -45.61 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.175 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.505 ' N ' HG23 ' A' ' 34' ' ' VAL . 23.8 m-70 -85.72 103.65 14.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.862 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.7 p -49.23 -38.3 26.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.788 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 122.08 -175.99 16.39 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.542 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -71.49 -4.25 25.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.382 . . . . 0.0 110.868 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.2 ptmm? -138.87 142.62 34.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.52 0.676 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 104.0 1.26 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.632 2.221 . . . . 0.0 112.305 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 71.7 p -141.85 126.37 17.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -140.86 161.65 26.71 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.517 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 177.94 5.03 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.673 2.248 . . . . 0.0 112.396 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.7 p -144.09 122.39 12.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.2 m -124.95 156.23 38.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.845 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.494 -179.978 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.6 m -76.69 113.1 13.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.879 0.371 . . . . 0.0 110.893 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 m -87.56 -48.4 7.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.91 -138.4 14.53 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.543 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.9 p -150.88 133.7 15.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.882 0.372 . . . . 0.0 110.835 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.1 p -121.85 85.12 2.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.854 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.85 40.97 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.562 ' O ' HG22 ' A' ' 8' ' ' THR . 19.4 m -129.03 40.59 3.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.815 0.34 . . . . 0.0 111.13 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.76 93.82 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.462 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -107.53 -26.83 10.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.883 0.373 . . . . 0.0 110.901 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.465 ' HE3' ' N ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -88.79 150.14 45.19 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.589 0.709 . . . . 0.0 110.913 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.446 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 53.8 Cg_endo -69.77 -7.46 21.12 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.707 2.271 . . . . 0.0 112.338 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.446 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 69.6 m-85 -109.09 117.99 35.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -137.5 148.18 45.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -82.95 132.39 35.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -81.57 16.83 1.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.427 HG11 ' CG ' ' A' ' 35' ' ' HIS . 96.4 t -126.19 -55.66 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 19' ' ' ARG . 26.5 p -116.57 20.72 13.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 18' ' ' CYS . 0.8 OUTLIER 37.36 55.01 1.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.46 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 26.7 tttt -93.8 131.28 39.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.0 138.83 31.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.056 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.46 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 49.0 m-85 -135.21 174.55 10.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 90.7 p -92.57 -55.91 3.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.832 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 25' ' ' HIS . 6.0 t60 -115.35 142.04 47.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.47 ' O ' ' C ' ' A' ' 26' ' ' ALA . 26.4 t60 -36.63 -59.41 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.47 ' C ' ' O ' ' A' ' 25' ' ' HIS . . . -31.79 -68.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 26' ' ' ALA . 0.9 OUTLIER -36.84 -46.24 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.858 -179.802 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.413 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 13.7 tp -73.29 -40.06 64.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 26' ' ' ALA . 18.5 m -61.59 -57.14 13.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.178 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -58.69 -38.59 78.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.646 ' O ' HG22 ' A' ' 34' ' ' VAL . 25.0 t60 -61.46 -50.51 72.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 31' ' ' HIS . 25.1 mt-30 -34.28 -36.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 31' ' ' HIS . 17.0 mtt-85 -42.62 -55.68 3.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.646 HG22 ' O ' ' A' ' 31' ' ' HIS . 34.6 m -35.38 -40.45 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.138 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.438 ' O ' ' C ' ' A' ' 36' ' ' SER . 28.1 m-70 -88.39 -46.76 8.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 35' ' ' HIS . 31.1 t -34.43 -59.64 0.45 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 157.45 170.59 22.48 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.436 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -123.87 121.69 36.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.945 0.402 . . . . 0.0 110.858 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -146.24 145.19 23.28 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.575 0.702 . . . . 0.0 110.902 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 147.81 63.3 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.632 2.221 . . . . 0.0 112.37 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.6 t -58.14 147.94 28.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.39 174.5 6.25 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.458 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -4.47 14.14 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.648 2.232 . . . . 0.0 112.367 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.2 m -50.21 -58.77 4.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.9 t 64.69 44.46 3.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.805 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 CA-C-O 119.091 -0.838 . . . . 0.0 112.512 179.982 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 t -138.42 114.19 9.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.893 0.378 . . . . 0.0 110.863 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.2 p -135.67 132.68 37.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.72 55.36 3.78 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.4 t -114.52 -51.74 2.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.873 0.368 . . . . 0.0 110.863 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.0 m -147.79 159.26 44.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.26 46.21 94.39 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.433 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 60.5 m -150.46 126.12 10.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.859 0.362 . . . . 0.0 111.114 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 42.66 49.77 5.91 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.501 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.453 ' C ' ' HD3' ' A' ' 12' ' ' PRO . 34.1 tt0 -64.38 171.35 3.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.96 0.41 . . . . 0.0 110.87 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.417 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 5.1 ptpp? -116.05 55.62 1.23 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.537 0.684 . . . . 0.0 110.869 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.453 ' HD3' ' C ' ' A' ' 10' ' ' GLU . 54.0 Cg_endo -69.75 2.82 3.19 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.671 2.248 . . . . 0.0 112.349 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.53 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 27.9 m-85 -108.65 111.79 23.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -128.73 146.58 50.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.7 t -83.13 131.09 35.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.93 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.29 19.97 2.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.428 HG11 ' CG ' ' A' ' 35' ' ' HIS . 61.3 t -123.43 -44.89 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -117.22 -6.15 11.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? 61.42 46.14 7.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.3 mttt -96.83 174.74 6.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.49 136.77 53.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.076 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -130.76 114.3 15.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.7 p -41.65 -51.57 4.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -99.51 164.61 12.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.808 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.53 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 52.6 t60 -77.11 -51.14 11.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.465 ' O ' HG22 ' A' ' 29' ' ' THR . . . -49.43 -39.63 33.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.155 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 55.3 m -57.05 -27.77 61.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.843 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.4 tp -86.16 -52.81 5.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.465 HG22 ' O ' ' A' ' 26' ' ' ALA . 1.4 t -51.85 -26.32 9.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.131 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -88.09 -50.74 6.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 33' ' ' ARG . 12.1 t60 -48.92 -44.27 40.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 31' ' ' HIS . 25.3 mt-30 -37.85 -27.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 31' ' ' HIS . 10.7 mtm105 -53.06 -49.32 66.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.469 HG21 ' CE1' ' A' ' 31' ' ' HIS . 9.0 m -42.62 -28.5 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.108 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.428 ' CG ' HG11 ' A' ' 17' ' ' VAL . 45.7 m-70 -95.37 107.22 19.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.2 p -93.87 115.37 27.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.16 -165.55 19.89 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.473 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.36 42.54 0.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.916 0.389 . . . . 0.0 110.882 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.48 ' CD ' ' HD2' ' A' ' 40' ' ' PRO . 3.5 tppp? -101.28 139.04 20.12 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.597 0.713 . . . . 0.0 110.892 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.48 ' HD2' ' CD ' ' A' ' 39' ' ' LYS . 54.0 Cg_endo -69.76 -45.67 1.51 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.738 2.292 . . . . 0.0 112.361 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 66.8 p -77.69 134.2 38.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -167.28 -179.39 40.16 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.456 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 85.69 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.328 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.9 t -73.65 88.67 1.71 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.1 t -171.37 110.42 0.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 CA-C-O 119.177 -0.791 . . . . 0.0 112.49 179.986 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.1 t -57.77 170.28 0.62 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.845 0.355 . . . . 0.0 110.867 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.6 p -80.45 166.84 20.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.823 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.76 174.55 54.76 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.455 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -109.63 133.87 52.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.89 0.376 . . . . 0.0 110.842 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.2 m -54.9 -54.14 46.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.872 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.48 67.13 2.88 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.45 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.7 t -102.11 -28.73 12.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.823 0.344 . . . . 0.0 111.131 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 146.45 44.38 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.496 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -67.58 117.22 9.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.942 0.401 . . . . 0.0 110.91 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.4 mttp -141.83 156.04 65.87 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.606 0.717 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.549 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.81 -11.87 31.63 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.673 2.249 . . . . 0.0 112.362 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.549 ' CE2' ' HG2' ' A' ' 12' ' ' PRO . 25.9 m-85 -108.96 104.26 13.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -134.06 130.16 37.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.8 t -62.49 172.14 1.68 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -108.13 -42.01 4.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.459 ' HB ' ' CD2' ' A' ' 35' ' ' HIS . 93.3 t -71.16 -65.48 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.2 p -82.89 -25.16 32.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 52.0 mmm-85 65.91 46.86 2.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.0 tttm -97.47 156.37 16.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.05 146.55 27.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -140.28 158.9 43.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.7 t -73.37 -62.45 1.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.439 ' CE1' ' CE1' ' A' ' 25' ' ' HIS . 6.3 t-160 -106.54 143.58 34.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.479 ' CG ' ' N ' ' A' ' 26' ' ' ALA . 51.9 p-80 -43.0 -54.19 4.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.479 ' N ' ' CG ' ' A' ' 25' ' ' HIS . . . -33.61 -66.85 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 26' ' ' ALA . 1.3 t -36.93 -46.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.6 tp -72.49 -41.71 65.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.404 ' N ' ' O ' ' A' ' 26' ' ' ALA . 8.4 m -59.34 -55.98 27.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.205 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -63.09 -40.16 96.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.67 ' O ' HG22 ' A' ' 34' ' ' VAL . 11.4 t60 -58.39 -49.27 77.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 31' ' ' HIS . 43.2 mt-30 -34.5 -36.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 31' ' ' HIS . 32.9 mtp85 -41.15 -55.95 2.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.67 HG22 ' O ' ' A' ' 31' ' ' HIS . 35.1 m -39.11 -40.07 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.459 ' CD2' ' HB ' ' A' ' 17' ' ' VAL . 17.3 m-70 -82.64 128.75 34.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.1 t -81.99 -56.59 3.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 38' ' ' GLU . . . 154.87 72.86 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.466 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 37' ' ' GLY . 6.5 tm-20 -35.5 134.2 0.33 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.917 0.389 . . . . 0.0 110.918 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -38.35 100.08 0.2 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.566 0.698 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -48.3 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.673 2.248 . . . . 0.0 112.377 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 98.8 p 38.25 43.62 0.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 65.17 79.45 0.18 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.527 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.2 Cg_endo -69.83 140.57 42.75 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.662 2.241 . . . . 0.0 112.29 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 43' ' ' PRO . 49.1 m -36.84 109.67 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 94.3 p -83.32 157.49 22.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.495 179.983 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.4 p -159.94 119.4 2.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.863 0.363 . . . . 0.0 110.855 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.4 p -146.53 157.46 43.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.93 -167.77 13.69 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.466 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.7 t -147.16 132.39 18.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.904 0.383 . . . . 0.0 110.838 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.3 m -95.81 -61.71 1.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.824 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.76 82.18 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.515 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.6 p -59.58 164.83 3.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.821 0.344 . . . . 0.0 111.156 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.23 157.0 27.08 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.497 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -44.5 113.78 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.922 0.391 . . . . 0.0 110.901 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.619 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 2.1 pttm -125.77 43.79 1.02 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.542 0.687 . . . . 0.0 110.926 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.9 Cg_endo -69.7 3.08 2.95 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.685 2.257 . . . . 0.0 112.353 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.464 ' CE2' ' CB ' ' A' ' 25' ' ' HIS . 83.1 m-85 -106.15 121.94 45.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -135.75 151.14 49.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.497 ' SG ' ' NE2' ' A' ' 32' ' ' GLN . 12.3 t -87.69 131.95 34.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -84.1 24.97 0.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.811 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 67.7 t -130.6 -49.83 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.411 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 17.0 p -113.39 -4.59 13.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 65.62 34.55 7.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.496 ' HE3' ' CZ ' ' A' ' 22' ' ' PHE . 14.1 mmmt -70.31 178.85 2.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -150.29 128.36 11.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.086 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.496 ' CZ ' ' HE3' ' A' ' 20' ' ' LYS . 14.4 m-85 -131.04 175.51 9.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.8 p -91.72 -61.18 1.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -85.77 150.19 24.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.464 ' CB ' ' CE2' ' A' ' 13' ' ' TYR . 19.6 p-80 -60.27 -39.35 86.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 28' ' ' LEU . . . -57.12 -56.64 19.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.6 m -39.82 -29.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 26' ' ' ALA . 44.9 tp -83.31 -62.75 1.51 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.942 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.401 ' CG2' ' N ' ' A' ' 30' ' ' GLN . 1.5 t -46.43 -38.37 8.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.131 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.401 ' N ' ' CG2' ' A' ' 29' ' ' THR . 53.3 mt-30 -75.38 -30.1 60.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 33' ' ' ARG . 2.5 t60 -73.49 -52.93 11.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.497 ' NE2' ' SG ' ' A' ' 15' ' ' CYS . 14.7 mm-40 -33.92 -33.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -43.38 -49.18 7.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 33' ' ' ARG . 33.2 m -35.79 -33.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.421 ' N ' ' O ' ' A' ' 33' ' ' ARG . 31.5 m-70 -94.16 150.3 20.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.6 m -81.89 169.78 16.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.862 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -41.07 -77.69 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.531 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -161.57 173.6 14.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.914 0.388 . . . . 0.0 110.885 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.428 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 5.6 tmtt? 45.82 55.0 14.75 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.592 0.711 . . . . 0.0 110.857 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.428 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.5 Cg_endo -69.79 151.31 68.84 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.712 2.275 . . . . 0.0 112.341 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.8 m -106.99 147.58 29.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -156.68 140.88 7.49 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 97.21 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.698 2.265 . . . . 0.0 112.362 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.9 t -163.75 168.24 19.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.828 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.7 p -147.26 123.53 10.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.898 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 CA-C-O 119.114 -0.826 . . . . 0.0 112.467 -179.958 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.4 p -87.6 117.67 26.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.859 0.361 . . . . 0.0 110.834 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -103.86 -49.64 3.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.57 159.58 27.94 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.1 p -111.52 145.94 38.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.881 0.372 . . . . 0.0 110.87 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.3 p -67.67 175.55 2.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.821 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.47 72.14 0.9 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.548 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.6 p -126.08 103.19 7.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.807 0.337 . . . . 0.0 111.148 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.24 49.95 3.65 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.484 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.446 ' HG3' ' CD ' ' A' ' 11' ' ' LYS . 9.9 pt-20 -77.72 -26.89 50.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.944 0.402 . . . . 0.0 110.885 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.446 ' CD ' ' HG3' ' A' ' 10' ' ' GLU . 1.9 mptm? -116.68 140.67 27.06 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.565 0.698 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.575 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.79 -24.67 29.29 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.656 2.237 . . . . 0.0 112.334 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.575 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 64.8 m-85 -101.48 141.71 33.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.934 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -155.93 149.21 24.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.6 t -76.88 128.73 35.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -84.75 27.01 0.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 95.0 t -131.99 -48.62 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -112.88 -8.25 13.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 63.59 48.23 3.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -98.82 148.81 23.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.75 144.1 27.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.081 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.612 ' CE1' HD13 ' A' ' 28' ' ' LEU . 88.5 m-85 -134.49 133.73 40.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.2 m -53.31 -39.97 64.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -135.59 175.51 9.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.843 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.419 ' O ' ' N ' ' A' ' 28' ' ' LEU . 24.7 p-80 -70.46 -54.6 11.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.82 -36.35 1.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 m -67.46 -35.79 79.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.612 HD13 ' CE1' ' A' ' 22' ' ' PHE . 21.9 tp -82.02 -52.59 6.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.949 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 t -46.65 -37.09 7.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -76.89 -52.49 9.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.802 ' O ' HG22 ' A' ' 34' ' ' VAL . 3.1 t60 -52.14 -49.87 62.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 31' ' ' HIS . 29.8 mm-40 -34.7 -46.24 0.28 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 34' ' ' VAL . 2.1 mpt_? -41.05 -48.73 3.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.802 HG22 ' O ' ' A' ' 31' ' ' HIS . 33.8 m -33.81 -37.94 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.174 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.405 ' N ' ' O ' ' A' ' 33' ' ' ARG . 22.9 m-70 -90.49 130.1 36.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.1 t -121.75 -49.52 2.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 129.98 -53.96 0.8 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.505 ' OE2' ' N ' ' A' ' 39' ' ' LYS . 4.3 tm-20 -67.63 172.8 4.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.895 0.379 . . . . 0.0 110.875 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.53 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 0.0 OUTLIER 40.13 49.26 2.71 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.569 0.7 . . . . 0.0 110.863 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.6 Cg_endo -69.76 86.99 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.689 2.259 . . . . 0.0 112.317 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.4 p -106.19 109.88 21.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.844 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.21 151.76 35.35 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.6 Cg_endo -69.75 1.78 4.12 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.64 2.226 . . . . 0.0 112.339 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 43' ' ' PRO . 68.6 m -35.04 111.47 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 t -61.48 139.6 58.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.88 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.505 179.998 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.528 ' HB3' HD22 ' A' ' 28' ' ' LEU . 28.7 m-85 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.827 0.346 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -140.29 129.01 23.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.8 t -64.82 129.13 38.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -84.85 23.4 1.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.822 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.3 t -125.88 -54.65 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.126 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.2 p -110.49 -1.33 17.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.454 ' N ' ' HD3' ' A' ' 19' ' ' ARG . 1.9 mpp_? 60.59 47.37 8.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -85.22 169.55 13.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.31 128.58 41.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -124.34 162.97 22.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.893 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 31.5 p -89.69 -45.93 8.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.608 ' CD2' ' HB3' ' A' ' 26' ' ' ALA . 39.0 t60 -98.23 155.75 17.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.512 ' HB2' ' CZ ' ' A' ' 13' ' ' TYR . 19.7 t-160 -64.94 -55.39 19.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.608 ' HB3' ' CD2' ' A' ' 24' ' ' HIS . . . -47.79 -48.97 30.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.8 m -43.17 -29.62 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.528 HD22 ' HB3' ' A' ' 13' ' ' TYR . 39.8 tp -79.44 -54.86 5.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.468 HG22 ' O ' ' A' ' 26' ' ' ALA . 2.7 t -58.83 -22.37 58.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -84.95 -46.8 10.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.807 ' O ' HG22 ' A' ' 34' ' ' VAL . 11.1 t60 -57.97 -45.87 86.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 31' ' ' HIS . 46.0 mt-30 -36.53 -30.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 31' ' ' HIS . 45.6 mtt-85 -48.36 -53.4 17.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.807 HG22 ' O ' ' A' ' 31' ' ' HIS . 21.3 m -38.76 -26.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' A' ' 33' ' ' ARG . 38.8 m-70 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.532 ' CE2' ' HB3' ' A' ' 25' ' ' HIS . 47.9 m-85 . . . . . 0 CA--C 1.526 0.05 0 CA-C-O 120.855 0.359 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -149.98 141.96 23.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.845 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.9 t -83.56 133.66 34.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.816 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -91.1 26.59 2.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 82.3 t -131.69 -43.63 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -118.09 -7.21 10.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? 61.71 46.94 6.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -97.55 142.45 29.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.91 133.89 51.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -121.48 157.61 30.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.7 t -77.46 -47.78 18.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.574 ' CE1' ' HB3' ' A' ' 27' ' ' SER . 0.8 OUTLIER -104.59 178.15 4.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.532 ' HB3' ' CE2' ' A' ' 13' ' ' TYR . 14.9 p80 -87.41 -55.74 3.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.838 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.432 ' N ' ' CG ' ' A' ' 25' ' ' HIS . . . -40.42 -24.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.574 ' HB3' ' CE1' ' A' ' 24' ' ' HIS . 25.4 p -69.61 -47.07 64.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 55.2 tp -73.33 -54.38 8.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.4 t -42.88 -37.57 1.88 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.167 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.0 tm0? -83.75 -63.23 1.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.868 ' O ' HG22 ' A' ' 34' ' ' VAL . 8.5 t60 -39.5 -57.36 1.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 31' ' ' HIS . 10.2 mm-40 -34.49 -39.35 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 35' ' ' HIS . 71.1 mtp180 -44.48 -55.7 4.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.868 HG22 ' O ' ' A' ' 31' ' ' HIS . 35.9 m -36.36 -32.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.427 ' N ' ' O ' ' A' ' 33' ' ' ARG . 28.2 m-70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.818 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.565 ' CE2' ' N ' ' A' ' 25' ' ' HIS . 2.5 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.828 0.347 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -135.34 140.52 45.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -77.21 173.56 11.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -113.13 -49.16 2.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.45 ' HB ' ' CD2' ' A' ' 35' ' ' HIS . 98.5 t -61.3 -57.9 10.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.144 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.4 p -93.04 -23.13 18.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 39.7 mmm-85 64.24 50.64 2.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 48.1 tttp -97.24 150.7 20.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.94 130.07 49.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -119.32 164.67 15.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.3 p -113.36 36.36 3.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 25' ' ' HIS . 3.1 t-160 -170.65 112.54 0.41 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.837 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.565 ' N ' ' CE2' ' A' ' 13' ' ' TYR . 18.1 p80 -37.74 -43.13 0.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.837 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.82 -52.22 64.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.07 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.9 t -43.96 -28.1 0.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.0 tp -83.2 -53.67 5.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.967 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.4 t -59.32 -18.18 35.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -94.41 -54.54 3.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.458 ' O ' ' N ' ' A' ' 33' ' ' ARG . 7.8 t60 -51.43 -42.97 61.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.822 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -40.14 -25.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' HIS . 49.9 mtp85 -50.81 -45.74 59.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.821 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 20.3 m -43.86 -37.58 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.45 ' CD2' ' HB ' ' A' ' 17' ' ' VAL . 42.7 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.449 ' C ' ' OE1' ' A' ' 14' ' ' GLU . 24.2 m-85 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.864 0.364 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.449 ' OE1' ' C ' ' A' ' 13' ' ' TYR . 1.4 mp0 -134.05 158.0 44.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.1 t -95.1 133.63 38.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -87.33 24.87 1.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.0 t -131.55 -49.69 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.075 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.4 p -112.34 -5.14 14.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 59.37 48.35 10.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -106.99 135.8 47.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.22 138.79 31.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.079 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -124.95 147.27 48.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.9 m -63.98 -47.52 80.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.844 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -115.67 147.16 41.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.818 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.472 ' O ' ' N ' ' A' ' 28' ' ' LEU . 5.9 t-80 -53.44 -58.73 6.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 25' ' ' HIS . . . -33.94 -53.5 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.062 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -48.66 -43.76 36.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.868 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 25' ' ' HIS . 15.7 tp -76.25 -42.69 44.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.909 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.1 m -55.22 -48.62 73.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.161 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -74.03 -46.79 41.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.868 ' O ' HG22 ' A' ' 34' ' ' VAL . 8.9 t60 -49.22 -41.03 35.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -44.13 -28.95 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 51.9 mtm180 -55.63 -46.94 77.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.868 HG22 ' O ' ' A' ' 31' ' ' HIS . 32.6 m -40.75 -28.68 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.51 ' CE1' HG23 ' A' ' 34' ' ' VAL . 22.1 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.85 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.451 ' CE1' ' HB3' ' A' ' 25' ' ' HIS . 26.0 m-85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.844 0.354 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -153.45 147.81 25.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.2 t -72.79 174.21 8.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -113.39 -30.04 7.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 93.3 t -83.07 -51.3 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.6 p -109.26 2.12 20.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 42.32 43.81 3.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -81.65 143.09 32.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.39 141.18 28.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.085 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.457 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 60.1 m-85 -133.31 -33.78 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.1 m 59.58 31.29 20.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.872 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.412 ' O ' ' N ' ' A' ' 27' ' ' SER . 2.1 t-80 -165.18 110.16 0.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.451 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 28.4 p-80 -43.45 -45.3 6.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.835 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.433 ' N ' ' CG ' ' A' ' 25' ' ' HIS . . . -63.6 -31.68 72.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.457 ' CB ' ' HB3' ' A' ' 22' ' ' PHE . 53.8 m -73.42 -30.92 63.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.881 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.3 tp -83.48 -45.28 13.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 t -54.92 -34.28 62.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.173 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.423 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 55.2 mt-30 -78.67 -54.2 6.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.837 ' O ' HG22 ' A' ' 34' ' ' VAL . 38.7 t60 -52.34 -51.55 58.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -38.55 -27.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.485 ' N ' ' O ' ' A' ' 31' ' ' HIS . 3.0 mmp_? -54.12 -47.15 72.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.837 HG22 ' O ' ' A' ' 31' ' ' HIS . 29.8 m -52.06 -18.08 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 50.5 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.893 0.377 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -173.32 142.31 0.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.3 t -73.91 178.13 5.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -117.15 -43.9 2.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.656 HG21 ' HB3' ' A' ' 35' ' ' HIS . 97.7 t -65.39 -49.08 80.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.157 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.9 p -105.36 -23.06 12.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? 65.18 49.6 1.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.471 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 37.9 tttp -95.08 155.29 16.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.18 149.5 21.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.089 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 23.1 m-85 -144.86 156.69 44.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.4 m -77.1 -56.64 4.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 15.4 t-80 -107.39 162.91 13.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.449 ' O ' ' C ' ' A' ' 26' ' ' ALA . 28.6 t60 -60.86 -56.34 22.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 25' ' ' HIS . . . -33.59 -61.99 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 t -40.85 -43.97 2.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 25' ' ' HIS . 15.8 tp -76.06 -42.09 48.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.96 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.3 m -58.67 -59.07 5.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.186 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -60.45 -47.68 85.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.63 ' O ' HG22 ' A' ' 34' ' ' VAL . 30.1 t60 -52.17 -52.21 53.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -37.23 -28.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' HIS . 26.3 mmm180 -51.23 -50.23 59.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.63 HG22 ' O ' ' A' ' 31' ' ' HIS . 28.9 m -43.88 -24.78 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.656 ' HB3' HG21 ' A' ' 17' ' ' VAL . 47.5 m-70 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.824 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.464 ' HB3' HD22 ' A' ' 28' ' ' LEU . 39.4 m-85 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.846 0.355 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -154.86 144.51 21.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -69.17 179.64 1.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -121.55 -49.06 2.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 99.5 t -62.11 -51.35 73.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.098 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.6 p -99.69 -20.88 16.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 62.91 50.5 3.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.4 tttp -92.73 150.23 20.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.45 143.19 29.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.1 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -137.0 149.32 47.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.5 t -88.37 -45.25 10.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -100.95 124.35 46.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 13' ' ' TYR . 36.9 p-80 -41.04 -43.94 2.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.447 ' O ' HG22 ' A' ' 29' ' ' THR . . . -51.85 -53.04 44.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.067 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.0 m -41.44 -29.48 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.464 HD22 ' HB3' ' A' ' 13' ' ' TYR . 44.2 tp -81.89 -58.85 2.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.447 HG22 ' O ' ' A' ' 26' ' ' ALA . 1.4 t -50.66 -21.25 1.5 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.108 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -92.72 -52.04 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.819 ' O ' HG22 ' A' ' 34' ' ' VAL . 11.1 t60 -58.28 -47.3 84.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -38.23 -28.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.962 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 31' ' ' HIS . 57.8 mtp180 -49.45 -54.0 19.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.819 HG22 ' O ' ' A' ' 31' ' ' HIS . 26.1 m -40.42 -26.06 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.516 ' CE1' HG23 ' A' ' 34' ' ' VAL . 16.8 m-70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.548 ' HB3' HD22 ' A' ' 28' ' ' LEU . 2.4 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.832 0.349 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.438 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 21.5 tt0 -174.76 147.76 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.438 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 1.8 t -86.4 122.26 30.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.446 ' O ' ' NH1' ' A' ' 19' ' ' ARG . 2.1 t70 -80.86 14.08 2.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.6 t -117.0 -39.44 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.6 p -121.03 -5.39 9.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 16' ' ' ASP . 8.1 mpt_? 62.27 43.53 8.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.818 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -91.34 -180.0 5.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.43 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -135.37 147.66 49.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.43 ' CD1' ' C ' ' A' ' 21' ' ' ALA . 14.6 m-85 -141.09 171.96 13.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.0 t -106.18 -44.07 4.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.851 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -95.91 120.72 36.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -38.77 -55.92 1.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.483 ' O ' HG22 ' A' ' 29' ' ' THR . . . -51.0 -53.53 32.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 68.6 m -38.81 -28.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.548 HD22 ' HB3' ' A' ' 13' ' ' TYR . 43.6 tp -79.37 -56.37 4.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.483 HG22 ' O ' ' A' ' 26' ' ' ALA . 4.1 t -56.89 -20.13 21.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -90.24 -35.54 15.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -67.66 -50.59 57.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 33' ' ' ARG . 29.4 mt-30 -39.84 -35.9 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 32' ' ' GLN . 16.3 mmt180 -37.78 -53.75 1.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.498 HG23 ' N ' ' A' ' 35' ' ' HIS . 17.9 m -37.46 -44.16 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.498 ' N ' HG23 ' A' ' 34' ' ' VAL . 19.6 m-70 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.659 ' CE1' ' CB ' ' A' ' 25' ' ' HIS . 7.2 m-85 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.861 0.362 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.464 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 23.6 tt0 -149.08 149.46 31.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.464 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 49.1 t -89.84 129.13 36.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -85.27 24.41 1.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.0 t -128.36 -48.86 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.101 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.6 p -113.18 -8.66 13.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.4 mmt85 61.94 48.5 5.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -100.33 127.9 46.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.42 146.59 25.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -133.14 149.0 52.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.7 t -68.42 -54.52 16.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -97.94 166.42 11.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.659 ' CB ' ' CE1' ' A' ' 13' ' ' TYR . 6.6 p80 -75.26 -44.08 47.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.859 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.485 ' N ' ' CG ' ' A' ' 25' ' ' HIS . . . -51.64 -52.72 45.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -42.62 -28.55 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.0 tp -79.32 -58.41 3.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.441 HG22 ' O ' ' A' ' 26' ' ' ALA . 1.4 t -52.79 -19.9 2.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.16 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.45 ' OE1' ' C ' ' A' ' 30' ' ' GLN . 1.4 tm0? -89.96 -51.51 5.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.85 ' O ' HG22 ' A' ' 34' ' ' VAL . 4.5 t60 -52.63 -45.48 66.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 31' ' ' HIS . 42.6 mm-40 -35.49 -32.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 31' ' ' HIS . 21.2 mtp85 -48.71 -53.98 16.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.85 HG22 ' O ' ' A' ' 31' ' ' HIS . 26.8 m -39.08 -26.55 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.133 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' ' 33' ' ' ARG . 67.4 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.822 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.545 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 4.4 m-85 . . . . . 0 N--CA 1.458 -0.035 0 CA-C-O 120.873 0.368 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.446 ' CD ' ' O ' ' A' ' 15' ' ' CYS . 5.9 tm-20 -142.48 117.84 10.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.861 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.446 ' O ' ' CD ' ' A' ' 14' ' ' GLU . 3.3 t -43.28 166.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -106.12 -34.28 7.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.82 HG21 ' HB3' ' A' ' 35' ' ' HIS . 77.7 t -80.44 -62.85 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.106 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.0 p -85.41 -20.84 29.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.22 45.4 6.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.2 tttt -92.34 157.09 16.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.54 144.07 31.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -132.79 157.05 45.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 m -79.59 -46.24 17.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.565 ' CE1' ' HB2' ' A' ' 27' ' ' SER . 0.6 OUTLIER -110.04 140.52 43.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.89 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.545 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 43.8 t-80 -48.76 -51.58 28.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 28' ' ' LEU . . . -44.62 -58.46 3.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.565 ' HB2' ' CE1' ' A' ' 24' ' ' HIS . 1.1 t -38.22 -26.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.834 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 26' ' ' ALA . 30.1 tp -82.22 -58.62 2.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.43 HG22 ' O ' ' A' ' 26' ' ' ALA . 2.3 t -52.49 -29.23 23.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -79.26 -59.54 2.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 33' ' ' ARG . 11.3 t60 -53.5 -48.39 69.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' A' ' 31' ' ' HIS . 56.3 mt-30 -34.3 -34.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 31' ' ' HIS . 14.4 mtp85 -41.59 -49.45 4.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.437 HG23 ' N ' ' A' ' 35' ' ' HIS . 23.8 m -41.32 -40.81 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.82 ' HB3' HG21 ' A' ' 17' ' ' VAL . 44.7 m-70 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.484 ' CD1' ' HA ' ' A' ' 25' ' ' HIS . 11.9 m-85 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.877 0.37 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -123.31 137.24 54.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.406 ' HA ' HD11 ' A' ' 28' ' ' LEU . 6.9 t -74.75 131.05 40.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -87.0 19.72 2.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.729 HG11 ' CG ' ' A' ' 35' ' ' HIS . 97.8 t -120.11 -54.13 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.4 p -109.64 -5.17 15.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.457 ' N ' ' HD2' ' A' ' 19' ' ' ARG . 4.9 mpt_? 62.46 48.25 4.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.881 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -91.25 -178.04 5.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.98 136.8 42.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -132.63 149.98 52.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.9 m -74.72 -53.02 10.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.855 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -93.17 145.48 24.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.498 ' CG ' ' N ' ' A' ' 26' ' ' ALA . 26.9 p-80 -55.14 -47.05 75.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.498 ' N ' ' CG ' ' A' ' 25' ' ' HIS . . . -57.86 -50.09 74.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 m -41.61 -24.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 26' ' ' ALA . 57.6 tp -86.59 -54.14 4.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.486 HG22 ' HA ' ' A' ' 26' ' ' ALA . 5.0 t -59.64 -28.41 67.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.135 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.471 ' HG3' ' N ' ' A' ' 31' ' ' HIS . 3.1 pt20 -74.39 -39.74 62.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.698 ' O ' HG22 ' A' ' 34' ' ' VAL . 6.6 t60 -72.31 -45.9 58.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 31' ' ' HIS . 73.8 mt-30 -34.47 -34.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.885 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 35' ' ' HIS . 46.5 mtp180 -47.32 -50.32 22.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.698 HG22 ' O ' ' A' ' 31' ' ' HIS . 34.9 m -38.58 -27.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.729 ' CG ' HG11 ' A' ' 17' ' ' VAL . 41.3 m-70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.512 ' CD2' ' HA ' ' A' ' 25' ' ' HIS . 29.4 m-85 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.848 0.356 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 60.8 tt0 -153.54 146.85 24.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.863 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.9 t -74.95 179.04 5.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -121.45 -21.3 6.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 97.1 t -90.87 -44.88 14.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.16 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.1 p -115.43 -2.58 12.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.4 mmt85 50.47 46.52 25.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.5 tttm -79.81 170.99 15.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.03 140.8 49.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.082 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -136.78 167.22 21.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.3 p -123.0 35.55 4.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 25' ' ' HIS . 4.2 t-80 -172.65 115.37 0.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.512 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . 3.0 t-160 -34.44 -49.45 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.51 -47.08 80.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.072 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 24' ' ' HIS . 14.8 m -48.74 -19.16 0.33 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.483 HD22 ' HB3' ' A' ' 13' ' ' TYR . 46.6 tp -88.2 -53.47 4.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.479 ' CG2' ' N ' ' A' ' 30' ' ' GLN . 1.4 t -58.91 -42.66 90.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.479 ' N ' ' CG2' ' A' ' 29' ' ' THR . 9.6 pt20 -56.18 -40.89 74.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.651 ' O ' HG22 ' A' ' 34' ' ' VAL . 11.9 t60 -73.7 -48.45 31.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -38.58 -31.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -48.27 -46.68 36.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.651 HG22 ' O ' ' A' ' 31' ' ' HIS . 31.6 m -44.13 -39.55 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.42 ' N ' HG23 ' A' ' 34' ' ' VAL . 32.5 m-70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.872 0.368 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -154.56 120.41 5.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.6 t -52.39 169.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -117.29 -29.98 5.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 94.7 t -75.8 -36.31 32.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.105 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.45 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 19.5 p -119.11 -17.54 8.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.6 mmt85 66.43 35.36 5.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.45 ' CG ' ' SG ' ' A' ' 18' ' ' CYS . 4.0 mmtm -73.76 178.76 4.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.4 ' C ' ' CG ' ' A' ' 22' ' ' PHE . . . -123.5 145.37 48.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.144 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.498 ' CD2' ' HB2' ' A' ' 28' ' ' LEU . 20.6 m-85 -156.08 113.28 3.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 82.6 p -56.98 -42.5 80.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.847 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 19.5 t-160 -105.5 127.46 53.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 28' ' ' LEU . 2.0 t-80 -42.51 -57.95 2.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.467 ' C ' ' O ' ' A' ' 25' ' ' HIS . . . -32.56 -59.32 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.124 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.6 m -43.59 -43.76 5.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.498 ' HB2' ' CD2' ' A' ' 22' ' ' PHE . 12.8 tp -76.41 -42.85 42.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.2 m -54.65 -47.72 73.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -74.34 -37.45 63.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.952 ' O ' HG22 ' A' ' 34' ' ' VAL . 5.6 t60 -59.85 -47.28 86.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.808 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 31' ' ' HIS . 11.9 mm100 -37.29 -31.95 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.882 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 35' ' ' HIS . 71.7 mtp180 -50.25 -49.18 53.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.952 HG22 ' O ' ' A' ' 31' ' ' HIS . 17.1 m -40.53 -26.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.439 ' N ' ' O ' ' A' ' 33' ' ' ARG . 20.8 m-70 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.515 ' CE1' ' HB3' ' A' ' 25' ' ' HIS . 65.4 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.837 0.351 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -163.86 141.9 7.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.9 t -82.07 124.54 29.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -82.93 18.64 1.56 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.7 t -118.65 -49.89 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.147 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.9 p -114.46 -4.5 12.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.414 ' N ' ' HD3' ' A' ' 19' ' ' ARG . 1.4 mpp_? 61.89 53.95 2.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.489 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 14.1 tttp -101.42 138.41 38.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.52 141.02 36.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.073 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.489 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 15.6 m-85 -137.09 179.43 6.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.8 m -93.57 -58.96 2.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -101.93 176.08 5.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.518 ' CG ' ' N ' ' A' ' 26' ' ' ALA . 5.9 p80 -77.31 -53.45 7.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.518 ' N ' ' CG ' ' A' ' 25' ' ' HIS . . . -37.85 -39.92 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 95.3 p -61.02 -50.66 72.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.6 tp -68.45 -43.89 76.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.9 m -60.43 -51.62 68.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.489 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 10.7 mm100 -65.49 -32.37 73.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 32' ' ' GLN . 9.5 t60 -63.53 -55.43 23.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 31' ' ' HIS . 53.7 mt-30 -37.64 -33.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.489 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 11.3 mmt180 -40.79 -44.78 2.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.546 HG23 ' N ' ' A' ' 35' ' ' HIS . 20.6 m -50.21 -46.04 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.546 ' N ' HG23 ' A' ' 34' ' ' VAL . 46.1 m-70 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.793 0.33 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -148.86 161.07 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.9 t -98.4 145.58 26.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -89.55 20.49 3.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 99.8 t -133.62 -60.1 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.0 p -103.99 4.84 34.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.7 mmt85 50.03 36.88 12.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -82.74 130.07 35.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.32 136.32 33.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.108 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.546 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 20.9 m-85 -126.73 133.06 50.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.1 m -62.34 -47.36 84.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.436 ' O ' ' C ' ' A' ' 25' ' ' HIS . 4.0 t-160 -100.95 121.96 42.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 26' ' ' ALA . 24.9 t60 -34.49 -63.68 0.29 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 29' ' ' THR . . . -34.12 -65.59 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 26' ' ' ALA . 18.8 m -37.02 -43.23 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.819 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.546 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 14.6 tp -74.09 -41.26 61.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.881 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 26' ' ' ALA . 2.7 m -66.09 -60.09 3.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -54.54 -40.86 69.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.591 ' O ' HG22 ' A' ' 34' ' ' VAL . 8.1 t60 -53.55 -47.15 70.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 31' ' ' HIS . 26.5 mm100 -34.61 -34.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 31' ' ' HIS . 37.8 mtp180 -43.37 -56.22 3.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.591 HG22 ' O ' ' A' ' 31' ' ' HIS . 35.3 m -34.22 -45.61 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.175 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.505 ' N ' HG23 ' A' ' 34' ' ' VAL . 23.8 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.844 0.354 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -137.5 148.18 45.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -82.95 132.39 35.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -81.57 16.83 1.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.427 HG11 ' CG ' ' A' ' 35' ' ' HIS . 96.4 t -126.19 -55.66 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 19' ' ' ARG . 26.5 p -116.57 20.72 13.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 18' ' ' CYS . 0.8 OUTLIER 37.36 55.01 1.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.46 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 26.7 tttt -93.8 131.28 39.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.0 138.83 31.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.056 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.46 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 49.0 m-85 -135.21 174.55 10.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 90.7 p -92.57 -55.91 3.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.832 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 25' ' ' HIS . 6.0 t60 -115.35 142.04 47.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.47 ' O ' ' C ' ' A' ' 26' ' ' ALA . 26.4 t60 -36.63 -59.41 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.47 ' C ' ' O ' ' A' ' 25' ' ' HIS . . . -31.79 -68.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 26' ' ' ALA . 0.9 OUTLIER -36.84 -46.24 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.858 -179.802 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.413 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 13.7 tp -73.29 -40.06 64.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 26' ' ' ALA . 18.5 m -61.59 -57.14 13.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.178 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -58.69 -38.59 78.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.646 ' O ' HG22 ' A' ' 34' ' ' VAL . 25.0 t60 -61.46 -50.51 72.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 31' ' ' HIS . 25.1 mt-30 -34.28 -36.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 31' ' ' HIS . 17.0 mtt-85 -42.62 -55.68 3.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.646 HG22 ' O ' ' A' ' 31' ' ' HIS . 34.6 m -35.38 -40.45 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.138 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.427 ' CG ' HG11 ' A' ' 17' ' ' VAL . 28.1 m-70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.53 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 27.9 m-85 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.772 0.32 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -128.73 146.58 50.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.7 t -83.13 131.09 35.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.93 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.29 19.97 2.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.428 HG11 ' CG ' ' A' ' 35' ' ' HIS . 61.3 t -123.43 -44.89 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -117.22 -6.15 11.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? 61.42 46.14 7.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.3 mttt -96.83 174.74 6.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.49 136.77 53.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.076 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -130.76 114.3 15.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.7 p -41.65 -51.57 4.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -99.51 164.61 12.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.808 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.53 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 52.6 t60 -77.11 -51.14 11.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.465 ' O ' HG22 ' A' ' 29' ' ' THR . . . -49.43 -39.63 33.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.155 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 55.3 m -57.05 -27.77 61.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.843 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.4 tp -86.16 -52.81 5.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.465 HG22 ' O ' ' A' ' 26' ' ' ALA . 1.4 t -51.85 -26.32 9.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.131 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -88.09 -50.74 6.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 33' ' ' ARG . 12.1 t60 -48.92 -44.27 40.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 31' ' ' HIS . 25.3 mt-30 -37.85 -27.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 31' ' ' HIS . 10.7 mtm105 -53.06 -49.32 66.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.469 HG21 ' CE1' ' A' ' 31' ' ' HIS . 9.0 m -42.62 -28.5 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.108 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.428 ' CG ' HG11 ' A' ' 17' ' ' VAL . 45.7 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.471 ' CE1' ' HB3' ' A' ' 25' ' ' HIS . 25.9 m-85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.833 0.349 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -134.06 130.16 37.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.8 t -62.49 172.14 1.68 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -108.13 -42.01 4.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.459 ' HB ' ' CD2' ' A' ' 35' ' ' HIS . 93.3 t -71.16 -65.48 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.2 p -82.89 -25.16 32.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 52.0 mmm-85 65.91 46.86 2.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.0 tttm -97.47 156.37 16.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.05 146.55 27.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -140.28 158.9 43.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.7 t -73.37 -62.45 1.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.439 ' CE1' ' CE1' ' A' ' 25' ' ' HIS . 6.3 t-160 -106.54 143.58 34.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.479 ' CG ' ' N ' ' A' ' 26' ' ' ALA . 51.9 p-80 -43.0 -54.19 4.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.479 ' N ' ' CG ' ' A' ' 25' ' ' HIS . . . -33.61 -66.85 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 26' ' ' ALA . 1.3 t -36.93 -46.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.6 tp -72.49 -41.71 65.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.404 ' N ' ' O ' ' A' ' 26' ' ' ALA . 8.4 m -59.34 -55.98 27.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.205 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -63.09 -40.16 96.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.67 ' O ' HG22 ' A' ' 34' ' ' VAL . 11.4 t60 -58.39 -49.27 77.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 31' ' ' HIS . 43.2 mt-30 -34.5 -36.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 31' ' ' HIS . 32.9 mtp85 -41.15 -55.95 2.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.67 HG22 ' O ' ' A' ' 31' ' ' HIS . 35.1 m -39.11 -40.07 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.459 ' CD2' ' HB ' ' A' ' 17' ' ' VAL . 17.3 m-70 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.464 ' CE2' ' CB ' ' A' ' 25' ' ' HIS . 83.1 m-85 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.837 0.351 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -135.75 151.14 49.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.497 ' SG ' ' NE2' ' A' ' 32' ' ' GLN . 12.3 t -87.69 131.95 34.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -84.1 24.97 0.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.811 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 67.7 t -130.6 -49.83 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.411 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 17.0 p -113.39 -4.59 13.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 65.62 34.55 7.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.496 ' HE3' ' CZ ' ' A' ' 22' ' ' PHE . 14.1 mmmt -70.31 178.85 2.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -150.29 128.36 11.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.086 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.496 ' CZ ' ' HE3' ' A' ' 20' ' ' LYS . 14.4 m-85 -131.04 175.51 9.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.8 p -91.72 -61.18 1.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -85.77 150.19 24.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.464 ' CB ' ' CE2' ' A' ' 13' ' ' TYR . 19.6 p-80 -60.27 -39.35 86.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 28' ' ' LEU . . . -57.12 -56.64 19.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.6 m -39.82 -29.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 26' ' ' ALA . 44.9 tp -83.31 -62.75 1.51 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.942 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.401 ' CG2' ' N ' ' A' ' 30' ' ' GLN . 1.5 t -46.43 -38.37 8.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.131 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.401 ' N ' ' CG2' ' A' ' 29' ' ' THR . 53.3 mt-30 -75.38 -30.1 60.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 33' ' ' ARG . 2.5 t60 -73.49 -52.93 11.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.497 ' NE2' ' SG ' ' A' ' 15' ' ' CYS . 14.7 mm-40 -33.92 -33.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -43.38 -49.18 7.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 33' ' ' ARG . 33.2 m -35.79 -33.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.421 ' N ' ' O ' ' A' ' 33' ' ' ARG . 31.5 m-70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.833 0.349 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -155.93 149.21 24.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.6 t -76.88 128.73 35.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -84.75 27.01 0.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 95.0 t -131.99 -48.62 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -112.88 -8.25 13.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 63.59 48.23 3.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -98.82 148.81 23.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.75 144.1 27.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.081 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.612 ' CE1' HD13 ' A' ' 28' ' ' LEU . 88.5 m-85 -134.49 133.73 40.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.2 m -53.31 -39.97 64.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.477 ' CE1' ' OG ' ' A' ' 27' ' ' SER . 1.2 p80 -135.59 175.51 9.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.843 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.483 ' CD2' ' H ' ' A' ' 25' ' ' HIS . 7.5 p80 -70.46 -54.6 11.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.82 -36.35 1.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.477 ' OG ' ' CE1' ' A' ' 24' ' ' HIS . 1.8 m -67.46 -35.79 79.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.612 HD13 ' CE1' ' A' ' 22' ' ' PHE . 21.9 tp -82.02 -52.59 6.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.949 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 t -46.65 -37.09 7.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -76.89 -52.49 9.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.802 ' O ' HG22 ' A' ' 34' ' ' VAL . 3.1 t60 -52.14 -49.87 62.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 31' ' ' HIS . 29.8 mm-40 -34.7 -46.24 0.28 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 34' ' ' VAL . 2.1 mpt_? -41.05 -48.73 3.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.802 HG22 ' O ' ' A' ' 31' ' ' HIS . 33.8 m -33.81 -37.94 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.174 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.405 ' N ' ' O ' ' A' ' 33' ' ' ARG . 22.9 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 p -83.01 90.73 7.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.91 0.386 . . . . 0.0 110.868 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -124.4 -50.58 1.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.71 114.23 4.82 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.499 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.3 p -139.14 139.62 37.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.925 0.393 . . . . 0.0 110.849 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 7' ' ' GLY . 92.7 p -92.34 42.15 1.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 37.54 46.61 1.54 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.531 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 7' ' ' GLY . 76.2 p -36.99 -44.05 0.49 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.801 0.334 . . . . 0.0 111.099 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -165.98 138.38 5.19 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.485 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -111.66 -13.65 13.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.88 0.371 . . . . 0.0 110.869 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.464 ' HG3' ' HB1' ' A' ' 21' ' ' ALA . 67.8 mmtt -146.19 148.33 34.6 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.614 0.721 . . . . 0.0 110.904 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.51 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.3 Cg_endo -69.78 -11.74 31.44 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.687 2.258 . . . . 0.0 112.356 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.528 ' HB3' HD22 ' A' ' 28' ' ' LEU . 28.7 m-85 -136.57 119.46 16.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -140.29 129.01 23.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.8 t -64.82 129.13 38.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -84.85 23.4 1.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.822 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.3 t -125.88 -54.65 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.126 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.2 p -110.49 -1.33 17.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.454 ' N ' ' HD3' ' A' ' 19' ' ' ARG . 1.9 mpp_? 60.59 47.37 8.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -85.22 169.55 13.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.464 ' HB1' ' HG3' ' A' ' 11' ' ' LYS . . . -130.31 128.58 41.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -124.34 162.97 22.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.893 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 31.5 p -89.69 -45.93 8.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.608 ' CD2' ' HB3' ' A' ' 26' ' ' ALA . 39.0 t60 -98.23 155.75 17.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.512 ' HB2' ' CZ ' ' A' ' 13' ' ' TYR . 19.7 t-160 -64.94 -55.39 19.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.608 ' HB3' ' CD2' ' A' ' 24' ' ' HIS . . . -47.79 -48.97 30.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.8 m -43.17 -29.62 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.528 HD22 ' HB3' ' A' ' 13' ' ' TYR . 39.8 tp -79.44 -54.86 5.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.468 HG22 ' O ' ' A' ' 26' ' ' ALA . 2.7 t -58.83 -22.37 58.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -84.95 -46.8 10.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.807 ' O ' HG22 ' A' ' 34' ' ' VAL . 11.1 t60 -57.97 -45.87 86.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 31' ' ' HIS . 46.0 mt-30 -36.53 -30.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 31' ' ' HIS . 45.6 mtt-85 -48.36 -53.4 17.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.807 HG22 ' O ' ' A' ' 31' ' ' HIS . 21.3 m -38.76 -26.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' A' ' 33' ' ' ARG . 38.8 m-70 -101.95 139.6 37.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.6 t -62.28 -53.74 50.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.49 163.04 6.65 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.447 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.7 mp0 -96.85 81.33 3.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.859 0.362 . . . . 0.0 110.886 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -139.07 144.17 39.86 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.613 0.721 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 166.38 27.87 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.687 2.258 . . . . 0.0 112.313 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.5 t -68.1 129.48 40.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -107.76 -171.01 21.82 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.463 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 99.55 0.75 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.685 2.257 . . . . 0.0 112.343 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.9 p -52.11 150.05 4.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 t -81.02 158.02 25.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 CA-C-O 119.15 -0.805 . . . . 0.0 112.478 -179.907 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.9 p -162.89 131.82 4.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.361 . . . . 0.0 110.856 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.2 p -134.49 156.01 49.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.59 63.44 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 t -124.75 111.93 16.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.942 0.401 . . . . 0.0 110.872 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.3 m -105.07 84.18 2.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.859 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.51 -118.7 1.1 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.456 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.6 t -64.34 149.45 48.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.791 0.329 . . . . 0.0 111.203 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 173.18 176.68 41.88 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.488 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -106.19 -24.16 12.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.919 0.39 . . . . 0.0 110.893 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.479 ' HD3' ' HB1' ' A' ' 21' ' ' ALA . 42.2 mttm -111.08 80.99 2.53 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.602 0.715 . . . . 0.0 110.875 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.459 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 54.2 Cg_endo -69.71 2.56 3.4 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.7 2.267 . . . . 0.0 112.35 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.532 ' CE2' ' HB3' ' A' ' 25' ' ' HIS . 47.9 m-85 -111.55 127.61 55.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -149.98 141.96 23.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.845 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.9 t -83.56 133.66 34.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.816 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -91.1 26.59 2.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 82.3 t -131.69 -43.63 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -118.09 -7.21 10.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? 61.71 46.94 6.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -97.55 142.45 29.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.479 ' HB1' ' HD3' ' A' ' 11' ' ' LYS . . . -107.91 133.89 51.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -121.48 157.61 30.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.7 t -77.46 -47.78 18.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.574 ' CE1' ' HB3' ' A' ' 27' ' ' SER . 0.8 OUTLIER -104.59 178.15 4.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.532 ' HB3' ' CE2' ' A' ' 13' ' ' TYR . 14.9 p80 -87.41 -55.74 3.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.838 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.432 ' N ' ' CG ' ' A' ' 25' ' ' HIS . . . -40.42 -24.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.574 ' HB3' ' CE1' ' A' ' 24' ' ' HIS . 25.4 p -69.61 -47.07 64.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 55.2 tp -73.33 -54.38 8.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.4 t -42.88 -37.57 1.88 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.167 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.0 tm0? -83.75 -63.23 1.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.868 ' O ' HG22 ' A' ' 34' ' ' VAL . 8.5 t60 -39.5 -57.36 1.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 31' ' ' HIS . 10.2 mm-40 -34.49 -39.35 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 35' ' ' HIS . 71.1 mtp180 -44.48 -55.7 4.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.868 HG22 ' O ' ' A' ' 31' ' ' HIS . 35.9 m -36.36 -32.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.427 ' N ' ' O ' ' A' ' 33' ' ' ARG . 28.2 m-70 -89.41 106.03 18.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.818 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.2 m -79.71 91.04 5.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.85 -178.06 12.78 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.45 ' CD ' ' O ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -101.64 40.93 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.929 0.395 . . . . 0.0 110.909 -179.845 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -164.15 143.91 6.33 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.526 0.679 . . . . 0.0 110.94 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -7.33 20.78 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.655 2.237 . . . . 0.0 112.37 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.5 m 56.67 41.62 28.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.821 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 130.83 162.63 10.72 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.488 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -24.91 29.33 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.666 2.244 . . . . 0.0 112.365 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 85.2 p 43.15 41.99 3.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.0 m -103.23 128.79 50.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.86 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.169 -0.795 . . . . 0.0 112.472 -179.978 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.7 m -39.49 -44.34 1.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.881 0.372 . . . . 0.0 110.848 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.3 p -91.52 106.15 18.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.812 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.41 114.13 0.59 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -147.36 148.65 31.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 0.0 110.848 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.5 m -115.65 137.16 52.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.06 -76.5 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.563 ' O ' HG22 ' A' ' 8' ' ' THR . 17.6 m 67.35 37.28 3.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 0.0 111.143 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.59 87.7 0.89 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.528 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.419 ' C ' ' HD2' ' A' ' 11' ' ' LYS . 32.7 mt-10 -103.61 -24.25 13.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.968 0.413 . . . . 0.0 110.913 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.419 ' HD2' ' C ' ' A' ' 10' ' ' GLU . 1.5 mptp? -140.29 147.02 48.26 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.545 0.688 . . . . 0.0 110.885 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.417 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.4 Cg_endo -69.82 -2.43 10.2 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.684 2.256 . . . . 0.0 112.312 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.565 ' CE2' ' N ' ' A' ' 25' ' ' HIS . 2.5 m-85 -113.57 106.52 14.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -135.34 140.52 45.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -77.21 173.56 11.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -113.13 -49.16 2.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.45 ' HB ' ' CD2' ' A' ' 35' ' ' HIS . 98.5 t -61.3 -57.9 10.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.144 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.4 p -93.04 -23.13 18.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 39.7 mmm-85 64.24 50.64 2.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 48.1 tttp -97.24 150.7 20.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.94 130.07 49.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -119.32 164.67 15.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.3 p -113.36 36.36 3.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 25' ' ' HIS . 3.1 t-160 -170.65 112.54 0.41 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.837 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.565 ' N ' ' CE2' ' A' ' 13' ' ' TYR . 18.1 p80 -37.74 -43.13 0.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.837 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.82 -52.22 64.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.07 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.9 t -43.96 -28.1 0.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.0 tp -83.2 -53.67 5.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.967 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.4 t -59.32 -18.18 35.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -94.41 -54.54 3.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.458 ' O ' ' N ' ' A' ' 33' ' ' ARG . 7.8 t60 -51.43 -42.97 61.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.822 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -40.14 -25.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' HIS . 49.9 mtp85 -50.81 -45.74 59.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.821 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 20.3 m -43.86 -37.58 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.45 ' CD2' ' HB ' ' A' ' 17' ' ' VAL . 42.7 m-70 -93.06 126.15 38.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 39.0 p -117.49 108.5 15.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.11 89.92 0.18 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.504 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.8 tm-20 -75.04 -3.59 33.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.911 0.386 . . . . 0.0 110.896 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.7 pttm -116.34 80.78 10.15 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.562 0.696 . . . . 0.0 110.952 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -43.21 2.81 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 93.0 p -122.15 148.56 44.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.816 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.55 -158.67 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -8.03 22.55 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.344 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 92.4 p -48.02 127.16 11.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.7 m -127.0 179.09 5.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.141 -0.81 . . . . 0.0 112.508 -179.96 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -116.3 109.24 17.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 110.84 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.8 p -40.13 152.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.841 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.87 -66.93 2.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.447 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.8 p 38.42 42.63 0.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.833 0.349 . . . . 0.0 110.861 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.5 p -67.0 -53.56 30.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.98 141.73 6.27 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.548 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 80.5 p -118.74 135.94 54.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.785 0.326 . . . . 0.0 111.138 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 137.21 -159.63 24.77 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.502 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -96.52 42.18 1.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.945 0.402 . . . . 0.0 110.901 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.533 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 11.4 ptmt -124.81 49.01 2.85 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.582 0.706 . . . . 0.0 110.876 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.3 Cg_endo -69.72 1.53 4.33 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.711 2.274 . . . . 0.0 112.358 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.449 ' C ' ' OE1' ' A' ' 14' ' ' GLU . 24.2 m-85 -120.02 121.96 40.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.449 ' OE1' ' C ' ' A' ' 13' ' ' TYR . 1.4 mp0 -134.05 158.0 44.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.1 t -95.1 133.63 38.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -87.33 24.87 1.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.0 t -131.55 -49.69 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.075 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.4 p -112.34 -5.14 14.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 59.37 48.35 10.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -106.99 135.8 47.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.432 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -94.22 138.79 31.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.079 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -124.95 147.27 48.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.9 m -63.98 -47.52 80.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.844 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -115.67 147.16 41.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.818 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.472 ' O ' ' N ' ' A' ' 28' ' ' LEU . 5.9 t-80 -53.44 -58.73 6.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 25' ' ' HIS . . . -33.94 -53.5 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.062 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -48.66 -43.76 36.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.868 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 25' ' ' HIS . 15.7 tp -76.25 -42.69 44.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.909 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.1 m -55.22 -48.62 73.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.161 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -74.03 -46.79 41.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.868 ' O ' HG22 ' A' ' 34' ' ' VAL . 8.9 t60 -49.22 -41.03 35.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -44.13 -28.95 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 51.9 mtm180 -55.63 -46.94 77.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.868 HG22 ' O ' ' A' ' 31' ' ' HIS . 32.6 m -40.75 -28.68 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.51 ' CE1' HG23 ' A' ' 34' ' ' VAL . 22.1 m-70 -98.29 76.84 2.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.85 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 37' ' ' GLY . 1.1 t -82.14 -70.21 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.822 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 36' ' ' SER . . . 35.73 81.6 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.497 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -94.79 37.13 1.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.935 0.398 . . . . 0.0 110.873 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.9 mtmm -163.18 144.09 7.35 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.539 0.685 . . . . 0.0 110.931 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 101.16 0.87 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.639 2.226 . . . . 0.0 112.37 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.4 m -125.47 -55.27 1.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.821 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.79 -90.15 1.43 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 135.49 30.69 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.638 2.225 . . . . 0.0 112.347 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.8 t -94.34 -60.54 1.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.7 m -61.81 -43.81 98.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 CA-C-O 119.112 -0.827 . . . . 0.0 112.472 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.8 m -150.01 157.84 43.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.889 0.376 . . . . 0.0 110.835 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.1 p -89.82 162.78 15.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.896 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.68 162.85 17.87 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.488 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 t -157.05 137.69 13.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.907 0.384 . . . . 0.0 110.863 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.9 p -51.15 -44.55 61.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.842 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.57 107.64 0.57 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.9 m -75.71 83.74 2.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.806 0.336 . . . . 0.0 111.169 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -177.04 76.58 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.464 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 11' ' ' LYS . 5.3 tp10 -102.57 -26.92 13.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 0.0 110.887 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 10' ' ' GLU . 2.1 mptp? -35.26 144.86 0.22 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.556 0.693 . . . . 0.0 110.923 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.546 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.8 -16.3 37.32 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.717 2.278 . . . . 0.0 112.376 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.546 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 26.0 m-85 -131.02 130.98 44.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -153.45 147.81 25.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.2 t -72.79 174.21 8.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -113.39 -30.04 7.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 93.3 t -83.07 -51.3 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.6 p -109.26 2.12 20.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 42.32 43.81 3.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -81.65 143.09 32.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.39 141.18 28.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.085 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.457 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 60.1 m-85 -133.31 -33.78 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.1 m 59.58 31.29 20.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.872 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.412 ' O ' ' N ' ' A' ' 27' ' ' SER . 2.1 t-80 -165.18 110.16 0.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.451 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 28.4 p-80 -43.45 -45.3 6.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.835 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.433 ' N ' ' CG ' ' A' ' 25' ' ' HIS . . . -63.6 -31.68 72.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.457 ' CB ' ' HB3' ' A' ' 22' ' ' PHE . 53.8 m -73.42 -30.92 63.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.881 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.3 tp -83.48 -45.28 13.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 t -54.92 -34.28 62.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.173 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.423 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 55.2 mt-30 -78.67 -54.2 6.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.837 ' O ' HG22 ' A' ' 34' ' ' VAL . 38.7 t60 -52.34 -51.55 58.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -38.55 -27.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.485 ' N ' ' O ' ' A' ' 31' ' ' HIS . 3.0 mmp_? -54.12 -47.15 72.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.837 HG22 ' O ' ' A' ' 31' ' ' HIS . 29.8 m -52.06 -18.08 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.445 ' O ' ' C ' ' A' ' 36' ' ' SER . 50.5 m-70 -107.36 80.96 1.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 35' ' ' HIS . 23.0 m -34.62 130.09 0.4 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.63 121.19 1.09 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.479 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 51.4 45.11 28.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.912 0.387 . . . . 0.0 110.898 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -134.32 151.18 75.85 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.546 0.689 . . . . 0.0 110.921 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 159.73 52.37 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.677 2.252 . . . . 0.0 112.376 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.0 t -128.73 -74.57 0.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 131.23 -91.04 0.29 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.452 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 100.67 0.84 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.651 2.234 . . . . 0.0 112.319 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.2 p -69.16 85.03 0.36 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.845 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 t -137.44 146.89 44.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.106 -0.83 . . . . 0.0 112.515 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 1' ' ' GLY . 25.1 p 35.64 42.19 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.849 0.357 . . . . 0.0 110.887 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.4 m -46.73 -48.85 20.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.823 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.41 76.32 1.22 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.461 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.4 p -116.4 109.85 17.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.843 0.354 . . . . 0.0 110.893 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.7 m -102.27 123.13 45.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.13 -47.52 1.02 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.508 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.8 p -72.73 105.33 4.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.811 0.339 . . . . 0.0 111.151 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.94 -168.78 28.37 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.439 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -65.47 129.98 41.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.913 0.387 . . . . 0.0 110.897 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.0 mttt -130.06 79.25 73.31 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.501 0.667 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.559 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.1 Cg_endo -69.76 -18.0 37.25 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.664 2.243 . . . . 0.0 112.377 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.559 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 28.4 m-85 -116.81 150.08 38.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -173.32 142.31 0.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.3 t -73.91 178.13 5.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -117.15 -43.9 2.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.656 HG21 ' HB3' ' A' ' 35' ' ' HIS . 97.7 t -65.39 -49.08 80.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.157 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.9 p -105.36 -23.06 12.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? 65.18 49.6 1.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.471 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 37.9 tttp -95.08 155.29 16.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.18 149.5 21.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.089 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 23.1 m-85 -144.86 156.69 44.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.4 m -77.1 -56.64 4.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 15.4 t-80 -107.39 162.91 13.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.449 ' O ' ' C ' ' A' ' 26' ' ' ALA . 28.6 t60 -60.86 -56.34 22.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 25' ' ' HIS . . . -33.59 -61.99 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 t -40.85 -43.97 2.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 25' ' ' HIS . 15.8 tp -76.06 -42.09 48.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.96 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.3 m -58.67 -59.07 5.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.186 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -60.45 -47.68 85.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.63 ' O ' HG22 ' A' ' 34' ' ' VAL . 30.1 t60 -52.17 -52.21 53.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -37.23 -28.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' HIS . 26.3 mmm180 -51.23 -50.23 59.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.63 HG22 ' O ' ' A' ' 31' ' ' HIS . 28.9 m -43.88 -24.78 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.656 ' HB3' HG21 ' A' ' 17' ' ' VAL . 47.5 m-70 -101.83 147.13 26.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.824 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 37' ' ' GLY . 81.2 p -127.54 90.0 3.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 36' ' ' SER . . . 34.68 48.71 0.7 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -88.08 132.36 34.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.913 0.387 . . . . 0.0 110.85 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.35 152.01 39.79 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.542 0.687 . . . . 0.0 110.922 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 114.86 3.86 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.627 2.218 . . . . 0.0 112.361 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.7 m -119.81 -58.39 1.89 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 126.9 85.03 0.52 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.504 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 167.08 25.48 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.696 2.264 . . . . 0.0 112.344 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.8 t -108.89 142.36 39.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 59.7 p -81.53 140.68 34.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.84 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.091 -0.838 . . . . 0.0 112.504 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.4 p -139.87 136.02 33.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.917 0.389 . . . . 0.0 110.838 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 4' ' ' GLY . 70.4 m -102.99 42.07 1.19 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.828 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 35.75 75.41 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.502 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 t -150.51 112.63 4.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.911 0.386 . . . . 0.0 110.842 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.5 t -101.76 -57.02 2.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.31 41.35 3.24 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.484 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 42.1 p -145.48 129.75 17.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.81 0.338 . . . . 0.0 111.131 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 131.25 -102.91 0.53 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.47 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.2 mp0 -86.53 149.75 24.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.965 0.412 . . . . 0.0 110.873 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.615 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 28.4 mttt 55.4 43.98 1.48 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.581 0.705 . . . . 0.0 110.863 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.615 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.74 2.83 3.17 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.679 2.253 . . . . 0.0 112.355 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.517 ' CE2' ' HG2' ' A' ' 12' ' ' PRO . 39.4 m-85 -121.84 129.16 52.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -154.86 144.51 21.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -69.17 179.64 1.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -121.55 -49.06 2.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 99.5 t -62.11 -51.35 73.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.098 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.6 p -99.69 -20.88 16.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 62.91 50.5 3.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.4 tttp -92.73 150.23 20.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.45 143.19 29.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.1 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -137.0 149.32 47.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.5 t -88.37 -45.25 10.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -100.95 124.35 46.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 13' ' ' TYR . 36.9 p-80 -41.04 -43.94 2.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.447 ' O ' HG22 ' A' ' 29' ' ' THR . . . -51.85 -53.04 44.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.067 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.0 m -41.44 -29.48 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.464 HD22 ' HB3' ' A' ' 13' ' ' TYR . 44.2 tp -81.89 -58.85 2.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.447 HG22 ' O ' ' A' ' 26' ' ' ALA . 1.4 t -50.66 -21.25 1.5 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.108 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -92.72 -52.04 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.819 ' O ' HG22 ' A' ' 34' ' ' VAL . 11.1 t60 -58.28 -47.3 84.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -38.23 -28.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.962 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 31' ' ' HIS . 57.8 mtp180 -49.45 -54.0 19.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.819 HG22 ' O ' ' A' ' 31' ' ' HIS . 26.1 m -40.42 -26.06 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.516 ' CE1' HG23 ' A' ' 34' ' ' VAL . 16.8 m-70 -106.28 78.4 1.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 t -144.18 152.56 41.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -71.65 115.65 5.7 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.439 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -100.83 161.91 13.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.928 0.394 . . . . 0.0 110.874 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -112.28 79.49 2.94 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.58 0.705 . . . . 0.0 110.94 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -18.16 37.26 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.687 2.258 . . . . 0.0 112.383 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.9 p -158.92 146.55 17.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.832 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 159.22 -158.64 29.69 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.513 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 167.05 25.55 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.668 2.245 . . . . 0.0 112.325 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.3 t -80.34 48.49 1.03 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.1 m -148.44 108.69 4.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.866 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.478 -179.961 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.6 p -106.42 159.54 16.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.914 0.387 . . . . 0.0 110.866 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.4 p -80.95 45.69 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.814 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.08 -42.42 94.54 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.485 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.0 p -94.39 91.59 6.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.867 0.365 . . . . 0.0 110.892 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.4 m -108.3 96.38 6.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.885 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.53 -139.82 11.05 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.9 m -121.32 140.72 51.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.816 0.341 . . . . 0.0 111.149 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -168.55 85.92 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.542 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -121.8 175.49 6.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.859 0.361 . . . . 0.0 110.907 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -174.68 155.9 2.09 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.594 0.712 . . . . 0.0 110.897 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.553 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.4 Cg_endo -69.67 -24.85 29.61 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.698 2.265 . . . . 0.0 112.391 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.553 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 2.4 m-85 -138.34 156.04 47.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.968 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.438 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 21.5 tt0 -174.76 147.76 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.438 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 1.8 t -86.4 122.26 30.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.446 ' O ' ' NH1' ' A' ' 19' ' ' ARG . 2.1 t70 -80.86 14.08 2.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.6 t -117.0 -39.44 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.6 p -121.03 -5.39 9.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 16' ' ' ASP . 8.1 mpt_? 62.27 43.53 8.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.818 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -91.34 -180.0 5.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.43 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -135.37 147.66 49.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.43 ' CD1' ' C ' ' A' ' 21' ' ' ALA . 14.6 m-85 -141.09 171.96 13.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.0 t -106.18 -44.07 4.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.851 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -95.91 120.72 36.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -38.77 -55.92 1.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.483 ' O ' HG22 ' A' ' 29' ' ' THR . . . -51.0 -53.53 32.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 68.6 m -38.81 -28.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.548 HD22 ' HB3' ' A' ' 13' ' ' TYR . 43.6 tp -79.37 -56.37 4.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.483 HG22 ' O ' ' A' ' 26' ' ' ALA . 4.1 t -56.89 -20.13 21.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -90.24 -35.54 15.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -67.66 -50.59 57.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 33' ' ' ARG . 29.4 mt-30 -39.84 -35.9 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 32' ' ' GLN . 16.3 mmt180 -37.78 -53.75 1.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.498 HG23 ' N ' ' A' ' 35' ' ' HIS . 17.9 m -37.46 -44.16 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.498 ' N ' HG23 ' A' ' 34' ' ' VAL . 19.6 m-70 -81.95 123.78 29.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.9 t -121.38 -54.01 2.0 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.81 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 178.7 -28.21 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.493 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 58.43 41.39 22.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.881 0.372 . . . . 0.0 110.917 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.487 ' CD ' ' HD2' ' A' ' 40' ' ' PRO . 2.0 tppp? -41.53 136.38 1.9 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.568 0.699 . . . . 0.0 110.914 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.487 ' HD2' ' CD ' ' A' ' 39' ' ' LYS . 53.9 Cg_endo -69.69 84.27 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.339 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.4 m -55.16 170.03 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.866 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 177.59 -83.79 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.49 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 134.72 28.63 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.679 2.253 . . . . 0.0 112.367 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 59.9 p -77.72 163.85 25.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.8 m 60.95 45.57 9.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.087 -0.841 . . . . 0.0 112.45 -179.965 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.7 m -82.93 114.11 20.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.814 0.34 . . . . 0.0 110.889 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 m -96.09 92.2 6.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.37 148.4 16.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.455 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -55.48 94.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.878 0.371 . . . . 0.0 110.835 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.4 p -62.49 -48.58 78.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.39 -176.36 48.27 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.519 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.5 p -99.2 135.03 41.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.832 0.349 . . . . 0.0 111.124 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 153.65 51.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.445 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -63.27 -24.16 67.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.941 0.401 . . . . 0.0 110.859 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.48 ' HD3' ' HB1' ' A' ' 21' ' ' ALA . 16.6 mtpp -159.67 159.53 27.82 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.558 0.694 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.542 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.5 Cg_endo -69.79 -17.41 37.43 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.676 2.251 . . . . 0.0 112.342 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.659 ' CE1' ' CB ' ' A' ' 25' ' ' HIS . 7.2 m-85 -126.81 113.29 16.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.942 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.464 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 23.6 tt0 -149.08 149.46 31.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.464 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 49.1 t -89.84 129.13 36.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -85.27 24.41 1.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.0 t -128.36 -48.86 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.101 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.6 p -113.18 -8.66 13.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.4 mmt85 61.94 48.5 5.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -100.33 127.9 46.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.48 ' HB1' ' HD3' ' A' ' 11' ' ' LYS . . . -88.42 146.59 25.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -133.14 149.0 52.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.7 t -68.42 -54.52 16.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -97.94 166.42 11.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.659 ' CB ' ' CE1' ' A' ' 13' ' ' TYR . 6.6 p80 -75.26 -44.08 47.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.859 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.485 ' N ' ' CG ' ' A' ' 25' ' ' HIS . . . -51.64 -52.72 45.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -42.62 -28.55 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.0 tp -79.32 -58.41 3.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.441 HG22 ' O ' ' A' ' 26' ' ' ALA . 1.4 t -52.79 -19.9 2.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.16 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.45 ' OE1' ' C ' ' A' ' 30' ' ' GLN . 1.4 tm0? -89.96 -51.51 5.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.85 ' O ' HG22 ' A' ' 34' ' ' VAL . 4.5 t60 -52.63 -45.48 66.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 31' ' ' HIS . 42.6 mm-40 -35.49 -32.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 31' ' ' HIS . 21.2 mtp85 -48.71 -53.98 16.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.85 HG22 ' O ' ' A' ' 31' ' ' HIS . 26.8 m -39.08 -26.55 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.133 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' ' 33' ' ' ARG . 67.4 m-70 -105.45 162.35 13.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.822 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.6 t -112.17 135.31 52.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.54 70.18 0.4 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.504 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 58.27 43.22 20.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.921 0.391 . . . . 0.0 110.892 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.484 ' CD ' ' HD2' ' A' ' 40' ' ' PRO . 0.4 OUTLIER -111.17 136.31 20.88 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.588 0.709 . . . . 0.0 110.913 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.484 ' HD2' ' CD ' ' A' ' 39' ' ' LYS . 53.8 Cg_endo -69.81 -48.08 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.684 2.256 . . . . 0.0 112.341 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.6 m -53.71 -43.94 69.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.25 -169.93 26.3 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.497 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 175.65 7.87 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.702 2.268 . . . . 0.0 112.32 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.7 t -118.12 137.09 53.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 92.5 p -150.53 137.47 19.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.909 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.163 -0.798 . . . . 0.0 112.479 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.434 -0.266 . . . . 0.0 112.434 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 t 68.53 42.46 1.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 110.872 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -57.52 97.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.831 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.44 40.06 2.99 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.515 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 6' ' ' SER . 3.3 p -59.7 -43.28 94.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.897 0.38 . . . . 0.0 110.867 -179.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 5' ' ' SER . 87.4 p 34.38 44.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -35.42 140.19 0.19 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.507 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.2 m -47.6 -60.88 2.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.817 0.341 . . . . 0.0 111.146 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 177.2 -134.02 2.39 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.486 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -141.93 149.53 40.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.866 0.365 . . . . 0.0 110.919 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.471 ' NZ ' ' HB2' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -94.85 151.39 38.95 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.589 0.709 . . . . 0.0 110.904 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.457 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.74 -24.79 29.37 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.664 2.243 . . . . 0.0 112.351 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.545 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 4.4 m-85 -125.58 112.72 16.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.952 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.446 ' CD ' ' O ' ' A' ' 15' ' ' CYS . 5.9 tm-20 -142.48 117.84 10.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.861 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.446 ' O ' ' CD ' ' A' ' 14' ' ' GLU . 3.3 t -43.28 166.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -106.12 -34.28 7.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.82 HG21 ' HB3' ' A' ' 35' ' ' HIS . 77.7 t -80.44 -62.85 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.106 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.0 p -85.41 -20.84 29.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.22 45.4 6.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.2 tttt -92.34 157.09 16.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.471 ' HB2' ' NZ ' ' A' ' 11' ' ' LYS . . . -102.54 144.07 31.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -132.79 157.05 45.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 m -79.59 -46.24 17.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.565 ' CE1' ' HB2' ' A' ' 27' ' ' SER . 0.6 OUTLIER -110.04 140.52 43.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.89 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.545 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 43.8 t-80 -48.76 -51.58 28.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 28' ' ' LEU . . . -44.62 -58.46 3.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.565 ' HB2' ' CE1' ' A' ' 24' ' ' HIS . 1.1 t -38.22 -26.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.834 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 26' ' ' ALA . 30.1 tp -82.22 -58.62 2.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.43 HG22 ' O ' ' A' ' 26' ' ' ALA . 2.3 t -52.49 -29.23 23.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -79.26 -59.54 2.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 33' ' ' ARG . 11.3 t60 -53.5 -48.39 69.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' A' ' 31' ' ' HIS . 56.3 mt-30 -34.3 -34.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 31' ' ' HIS . 14.4 mtp85 -41.59 -49.45 4.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.437 HG23 ' N ' ' A' ' 35' ' ' HIS . 23.8 m -41.32 -40.81 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.82 ' HB3' HG21 ' A' ' 17' ' ' VAL . 44.7 m-70 -88.37 42.25 1.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.7 m -124.16 123.0 39.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.29 -136.85 22.94 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.466 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -75.37 152.13 38.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.974 0.416 . . . . 0.0 110.858 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.99 144.07 44.09 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.565 0.697 . . . . 0.0 110.931 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 2.71 3.29 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.675 2.25 . . . . 0.0 112.312 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.2 t -73.77 149.06 41.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.39 -158.3 0.12 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.475 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 128.71 16.41 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.682 2.255 . . . . 0.0 112.357 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.6 m -48.44 161.09 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.854 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.1 t -147.75 169.39 19.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.084 -0.842 . . . . 0.0 112.493 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.9 m -74.93 86.1 2.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.821 0.343 . . . . 0.0 110.853 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.8 p -115.49 92.91 4.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -176.81 -151.4 8.95 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.524 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 4' ' ' GLY . 24.2 t -37.15 148.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.9 0.381 . . . . 0.0 110.848 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.9 p -93.04 -46.57 7.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.07 -175.9 44.59 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.554 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.594 HG23 ' O ' ' A' ' 8' ' ' THR . 6.0 t -123.19 83.9 2.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.857 0.36 . . . . 0.0 111.13 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 152.8 110.26 0.42 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.518 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -127.49 -28.65 2.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.889 0.376 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.8 mttt -148.5 150.27 33.53 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.562 0.696 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -18.06 37.55 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.674 2.25 . . . . 0.0 112.354 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.484 ' CD1' ' HA ' ' A' ' 25' ' ' HIS . 11.9 m-85 -107.07 87.47 2.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -123.31 137.24 54.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.406 ' HA ' HD11 ' A' ' 28' ' ' LEU . 6.9 t -74.75 131.05 40.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -87.0 19.72 2.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.729 HG11 ' CG ' ' A' ' 35' ' ' HIS . 97.8 t -120.11 -54.13 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.4 p -109.64 -5.17 15.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.457 ' N ' ' HD2' ' A' ' 19' ' ' ARG . 4.9 mpt_? 62.46 48.25 4.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.881 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -91.25 -178.04 5.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.98 136.8 42.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -132.63 149.98 52.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.9 m -74.72 -53.02 10.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.855 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -93.17 145.48 24.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.498 ' CG ' ' N ' ' A' ' 26' ' ' ALA . 26.9 p-80 -55.14 -47.05 75.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.498 ' N ' ' CG ' ' A' ' 25' ' ' HIS . . . -57.86 -50.09 74.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 m -41.61 -24.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 26' ' ' ALA . 57.6 tp -86.59 -54.14 4.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.486 HG22 ' HA ' ' A' ' 26' ' ' ALA . 5.0 t -59.64 -28.41 67.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.135 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.471 ' HG3' ' N ' ' A' ' 31' ' ' HIS . 3.1 pt20 -74.39 -39.74 62.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.698 ' O ' HG22 ' A' ' 34' ' ' VAL . 6.6 t60 -72.31 -45.9 58.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 31' ' ' HIS . 73.8 mt-30 -34.47 -34.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.885 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 35' ' ' HIS . 46.5 mtp180 -47.32 -50.32 22.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.698 HG22 ' O ' ' A' ' 31' ' ' HIS . 34.9 m -38.58 -27.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.729 ' CG ' HG11 ' A' ' 17' ' ' VAL . 41.3 m-70 -99.15 114.57 27.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 35' ' ' HIS . 36.7 p -37.35 130.8 0.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -113.35 -163.32 15.37 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.495 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 39.98 41.96 1.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.951 0.405 . . . . 0.0 110.894 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.451 ' HD2' ' N ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -68.06 144.01 96.62 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.599 0.714 . . . . 0.0 110.861 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -10.02 27.53 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.688 2.259 . . . . 0.0 112.367 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.451 ' N ' ' HD2' ' A' ' 39' ' ' LYS . 23.2 t 67.06 43.41 2.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -47.44 146.86 4.06 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.528 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 2.4 3.56 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.72 2.28 . . . . 0.0 112.311 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.5 m 49.32 40.47 18.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 63.0 m 41.76 41.6 1.85 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 CA-C-O 119.114 -0.826 . . . . 0.0 112.458 179.969 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.4 t -165.35 147.55 7.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.89 0.376 . . . . 0.0 110.838 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.2 p -150.93 176.8 10.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.834 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.68 88.58 0.23 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.437 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.9 p -75.46 153.0 37.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.881 0.372 . . . . 0.0 110.833 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.6 p -115.77 42.16 2.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.848 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.51 -164.12 30.13 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.435 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.563 ' O ' HG22 ' A' ' 8' ' ' THR . 20.6 m 45.77 40.06 5.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.851 0.357 . . . . 0.0 111.145 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 124.55 151.51 8.11 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.504 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -119.07 123.81 45.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.912 0.387 . . . . 0.0 110.897 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.547 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 8.8 ptmt -127.13 48.14 3.05 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.555 0.693 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 54.1 Cg_endo -69.75 1.71 4.18 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.676 2.251 . . . . 0.0 112.367 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.512 ' CD2' ' HA ' ' A' ' 25' ' ' HIS . 29.4 m-85 -99.36 136.9 38.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 60.8 tt0 -153.54 146.85 24.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.863 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.9 t -74.95 179.04 5.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -121.45 -21.3 6.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 97.1 t -90.87 -44.88 14.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.16 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.1 p -115.43 -2.58 12.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.4 mmt85 50.47 46.52 25.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.5 tttm -79.81 170.99 15.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.03 140.8 49.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.082 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -136.78 167.22 21.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.3 p -123.0 35.55 4.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 25' ' ' HIS . 4.2 t-80 -172.65 115.37 0.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.512 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . 3.0 t-160 -34.44 -49.45 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.51 -47.08 80.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.072 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 24' ' ' HIS . 14.8 m -48.74 -19.16 0.33 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.483 HD22 ' HB3' ' A' ' 13' ' ' TYR . 46.6 tp -88.2 -53.47 4.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.479 ' CG2' ' N ' ' A' ' 30' ' ' GLN . 1.4 t -58.91 -42.66 90.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.479 ' N ' ' CG2' ' A' ' 29' ' ' THR . 9.6 pt20 -56.18 -40.89 74.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.651 ' O ' HG22 ' A' ' 34' ' ' VAL . 11.9 t60 -73.7 -48.45 31.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -38.58 -31.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -48.27 -46.68 36.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.651 HG22 ' O ' ' A' ' 31' ' ' HIS . 31.6 m -44.13 -39.55 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.42 ' N ' HG23 ' A' ' 34' ' ' VAL . 32.5 m-70 -87.77 36.91 0.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 93.4 p -92.01 -41.86 10.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 102.77 110.47 3.43 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.456 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -91.85 40.79 1.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.897 0.38 . . . . 0.0 110.87 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 47.5 pttt -159.39 152.63 18.57 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.558 0.694 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -3.1 11.34 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.633 2.222 . . . . 0.0 112.358 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.6 m -104.2 164.32 11.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 119.82 152.5 9.04 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.514 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -174.15 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.338 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.3 t -126.18 169.37 12.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.86 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.6 m -143.7 159.75 41.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.165 -0.797 . . . . 0.0 112.509 179.995 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t 46.49 41.67 9.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.854 0.359 . . . . 0.0 110.894 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.5 t -70.65 142.23 51.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.13 120.33 0.58 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.498 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.0 m -134.36 171.86 13.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.891 0.377 . . . . 0.0 110.868 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 m -82.36 82.62 7.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.836 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.8 100.97 0.16 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.477 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.2 m -83.3 118.37 23.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.835 0.35 . . . . 0.0 111.166 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 46.13 95.1 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.512 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -62.65 -175.1 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.908 0.385 . . . . 0.0 110.883 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.19 143.32 48.43 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.558 0.694 . . . . 0.0 110.889 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.504 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.77 -11.92 31.81 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.7 2.266 . . . . 0.0 112.35 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.504 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 8.6 m-85 -144.83 125.49 14.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -154.56 120.41 5.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.6 t -52.39 169.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -117.29 -29.98 5.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 94.7 t -75.8 -36.31 32.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.105 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.45 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 19.5 p -119.11 -17.54 8.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.6 mmt85 66.43 35.36 5.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.45 ' CG ' ' SG ' ' A' ' 18' ' ' CYS . 4.0 mmtm -73.76 178.76 4.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.4 ' C ' ' CG ' ' A' ' 22' ' ' PHE . . . -123.5 145.37 48.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.144 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.498 ' CD2' ' HB2' ' A' ' 28' ' ' LEU . 20.6 m-85 -156.08 113.28 3.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 82.6 p -56.98 -42.5 80.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.847 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 19.5 t-160 -105.5 127.46 53.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 28' ' ' LEU . 2.0 t-80 -42.51 -57.95 2.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.467 ' C ' ' O ' ' A' ' 25' ' ' HIS . . . -32.56 -59.32 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.124 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.6 m -43.59 -43.76 5.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.498 ' HB2' ' CD2' ' A' ' 22' ' ' PHE . 12.8 tp -76.41 -42.85 42.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.2 m -54.65 -47.72 73.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -74.34 -37.45 63.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.952 ' O ' HG22 ' A' ' 34' ' ' VAL . 5.6 t60 -59.85 -47.28 86.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.808 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 31' ' ' HIS . 11.9 mm100 -37.29 -31.95 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.882 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 35' ' ' HIS . 71.7 mtp180 -50.25 -49.18 53.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.952 HG22 ' O ' ' A' ' 31' ' ' HIS . 17.1 m -40.53 -26.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.439 ' N ' ' O ' ' A' ' 33' ' ' ARG . 20.8 m-70 -100.46 83.85 2.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.0 t -116.03 124.79 51.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -120.75 102.41 0.85 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.461 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -138.84 149.22 44.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.904 0.383 . . . . 0.0 110.877 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.2 152.24 2.76 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.603 0.716 . . . . 0.0 110.929 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -175.1 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.708 2.272 . . . . 0.0 112.305 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.1 m -52.37 -44.0 65.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -163.23 83.5 0.11 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.497 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 137.08 34.5 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.723 2.282 . . . . 0.0 112.337 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 t -174.62 112.55 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.812 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 79.1 p 42.09 42.73 2.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.484 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.8 t -53.15 -46.86 69.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.924 0.393 . . . . 0.0 110.84 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.8 t 45.04 42.33 6.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.37 53.69 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.525 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.3 t -87.16 -44.59 11.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.86 0.362 . . . . 0.0 110.895 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.2 p -86.54 142.45 28.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.35 150.18 8.12 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.469 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 22.7 m -124.84 114.25 18.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.832 0.349 . . . . 0.0 111.204 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 176.12 83.39 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -147.59 118.43 7.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.856 0.36 . . . . 0.0 110.901 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.8 157.36 57.44 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.616 0.722 . . . . 0.0 110.888 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.507 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 54.2 Cg_endo -69.78 2.26 3.71 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.689 2.259 . . . . 0.0 112.355 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.515 ' CE1' ' HB3' ' A' ' 25' ' ' HIS . 65.4 m-85 -122.54 136.07 54.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -163.86 141.9 7.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.9 t -82.07 124.54 29.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -82.93 18.64 1.56 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.7 t -118.65 -49.89 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.147 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.9 p -114.46 -4.5 12.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.414 ' N ' ' HD3' ' A' ' 19' ' ' ARG . 1.4 mpp_? 61.89 53.95 2.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.489 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 14.1 tttp -101.42 138.41 38.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.52 141.02 36.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.073 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.489 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 15.6 m-85 -137.09 179.43 6.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.8 m -93.57 -58.96 2.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -101.93 176.08 5.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.518 ' CG ' ' N ' ' A' ' 26' ' ' ALA . 5.9 p80 -77.31 -53.45 7.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.518 ' N ' ' CG ' ' A' ' 25' ' ' HIS . . . -37.85 -39.92 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 95.3 p -61.02 -50.66 72.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.6 tp -68.45 -43.89 76.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.9 m -60.43 -51.62 68.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.489 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 10.7 mm100 -65.49 -32.37 73.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 32' ' ' GLN . 9.5 t60 -63.53 -55.43 23.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 31' ' ' HIS . 53.7 mt-30 -37.64 -33.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.489 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 11.3 mmt180 -40.79 -44.78 2.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.546 HG23 ' N ' ' A' ' 35' ' ' HIS . 20.6 m -50.21 -46.04 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.546 ' N ' HG23 ' A' ' 34' ' ' VAL . 46.1 m-70 -75.52 169.7 17.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.8 t -134.86 136.87 42.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -68.49 -46.34 63.31 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.478 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -115.18 139.41 49.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.955 0.407 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.7 tttm -118.48 134.41 23.46 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.606 0.717 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 85.3 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.652 2.235 . . . . 0.0 112.323 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.4 m -69.91 90.0 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -142.54 173.39 23.93 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.482 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -33.55 16.45 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.671 2.248 . . . . 0.0 112.329 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 26.1 p -80.51 47.21 0.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.1 p -138.8 125.2 20.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.815 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 CA-C-O 119.162 -0.799 . . . . 0.0 112.462 -179.987 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 1' ' ' GLY . 63.7 p 34.85 43.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.87 0.366 . . . . 0.0 110.822 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.4 m -77.32 88.06 3.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.44 54.58 0.65 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -111.98 136.22 51.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.915 0.388 . . . . 0.0 110.852 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.4 m -156.33 167.78 29.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.37 127.61 3.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 50.1 p -129.88 138.57 51.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.832 0.349 . . . . 0.0 111.156 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 73.0 41.49 48.18 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.471 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -116.17 82.48 1.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.932 0.396 . . . . 0.0 110.913 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.532 ' CD ' ' HB1' ' A' ' 21' ' ' ALA . 0.2 OUTLIER -145.05 152.78 52.18 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.588 0.709 . . . . 0.0 110.958 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.488 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.74 -5.3 15.85 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.726 2.284 . . . . 0.0 112.323 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.488 ' CE1' ' HG2' ' A' ' 12' ' ' PRO . 16.2 m-85 -104.31 113.0 26.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -148.86 161.07 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.9 t -98.4 145.58 26.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -89.55 20.49 3.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 99.8 t -133.62 -60.1 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.0 p -103.99 4.84 34.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.7 mmt85 50.03 36.88 12.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -82.74 130.07 35.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.532 ' HB1' ' CD ' ' A' ' 11' ' ' LYS . . . -92.32 136.32 33.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.108 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.546 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 20.9 m-85 -126.73 133.06 50.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.1 m -62.34 -47.36 84.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.436 ' O ' ' C ' ' A' ' 25' ' ' HIS . 4.0 t-160 -100.95 121.96 42.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 26' ' ' ALA . 24.9 t60 -34.49 -63.68 0.29 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 29' ' ' THR . . . -34.12 -65.59 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 26' ' ' ALA . 18.8 m -37.02 -43.23 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.819 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.546 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 14.6 tp -74.09 -41.26 61.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.881 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 26' ' ' ALA . 2.7 m -66.09 -60.09 3.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -54.54 -40.86 69.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.591 ' O ' HG22 ' A' ' 34' ' ' VAL . 8.1 t60 -53.55 -47.15 70.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 31' ' ' HIS . 26.5 mm100 -34.61 -34.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 31' ' ' HIS . 37.8 mtp180 -43.37 -56.22 3.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.591 HG22 ' O ' ' A' ' 31' ' ' HIS . 35.3 m -34.22 -45.61 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.175 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.505 ' N ' HG23 ' A' ' 34' ' ' VAL . 23.8 m-70 -85.72 103.65 14.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.862 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.7 p -49.23 -38.3 26.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.788 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 122.08 -175.99 16.39 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.542 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -71.49 -4.25 25.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.382 . . . . 0.0 110.868 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.2 ptmm? -138.87 142.62 34.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.52 0.676 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 104.0 1.26 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.632 2.221 . . . . 0.0 112.305 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 71.7 p -141.85 126.37 17.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -140.86 161.65 26.71 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.517 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 177.94 5.03 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.673 2.248 . . . . 0.0 112.396 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.7 p -144.09 122.39 12.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.2 m -124.95 156.23 38.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.845 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.494 -179.978 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.6 m -76.69 113.1 13.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.879 0.371 . . . . 0.0 110.893 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 m -87.56 -48.4 7.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.91 -138.4 14.53 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.543 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.9 p -150.88 133.7 15.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.882 0.372 . . . . 0.0 110.835 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.1 p -121.85 85.12 2.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.854 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.85 40.97 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.562 ' O ' HG22 ' A' ' 8' ' ' THR . 19.4 m -129.03 40.59 3.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.815 0.34 . . . . 0.0 111.13 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.76 93.82 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.462 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -107.53 -26.83 10.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.883 0.373 . . . . 0.0 110.901 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.465 ' HE3' ' N ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -88.79 150.14 45.19 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.589 0.709 . . . . 0.0 110.913 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.446 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 53.8 Cg_endo -69.77 -7.46 21.12 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.707 2.271 . . . . 0.0 112.338 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.446 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 69.6 m-85 -109.09 117.99 35.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -137.5 148.18 45.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -82.95 132.39 35.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -81.57 16.83 1.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.427 HG11 ' CG ' ' A' ' 35' ' ' HIS . 96.4 t -126.19 -55.66 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 19' ' ' ARG . 26.5 p -116.57 20.72 13.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 18' ' ' CYS . 0.8 OUTLIER 37.36 55.01 1.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.46 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 26.7 tttt -93.8 131.28 39.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.0 138.83 31.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.056 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.46 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 49.0 m-85 -135.21 174.55 10.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 90.7 p -92.57 -55.91 3.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.832 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 25' ' ' HIS . 6.0 t60 -115.35 142.04 47.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.47 ' O ' ' C ' ' A' ' 26' ' ' ALA . 26.4 t60 -36.63 -59.41 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.47 ' C ' ' O ' ' A' ' 25' ' ' HIS . . . -31.79 -68.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 26' ' ' ALA . 0.9 OUTLIER -36.84 -46.24 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.858 -179.802 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.413 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 13.7 tp -73.29 -40.06 64.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 26' ' ' ALA . 18.5 m -61.59 -57.14 13.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.178 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -58.69 -38.59 78.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.646 ' O ' HG22 ' A' ' 34' ' ' VAL . 25.0 t60 -61.46 -50.51 72.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 31' ' ' HIS . 25.1 mt-30 -34.28 -36.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 31' ' ' HIS . 17.0 mtt-85 -42.62 -55.68 3.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.646 HG22 ' O ' ' A' ' 31' ' ' HIS . 34.6 m -35.38 -40.45 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.138 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.438 ' O ' ' C ' ' A' ' 36' ' ' SER . 28.1 m-70 -88.39 -46.76 8.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 35' ' ' HIS . 31.1 t -34.43 -59.64 0.45 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 157.45 170.59 22.48 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.436 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -123.87 121.69 36.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.945 0.402 . . . . 0.0 110.858 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -146.24 145.19 23.28 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.575 0.702 . . . . 0.0 110.902 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 147.81 63.3 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.632 2.221 . . . . 0.0 112.37 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.6 t -58.14 147.94 28.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.39 174.5 6.25 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.458 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -4.47 14.14 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.648 2.232 . . . . 0.0 112.367 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.2 m -50.21 -58.77 4.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.9 t 64.69 44.46 3.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.805 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 CA-C-O 119.091 -0.838 . . . . 0.0 112.512 179.982 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 t -138.42 114.19 9.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.893 0.378 . . . . 0.0 110.863 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.2 p -135.67 132.68 37.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.72 55.36 3.78 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.4 t -114.52 -51.74 2.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.873 0.368 . . . . 0.0 110.863 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.0 m -147.79 159.26 44.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.26 46.21 94.39 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.433 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 60.5 m -150.46 126.12 10.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.859 0.362 . . . . 0.0 111.114 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 42.66 49.77 5.91 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.501 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.453 ' C ' ' HD3' ' A' ' 12' ' ' PRO . 34.1 tt0 -64.38 171.35 3.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.96 0.41 . . . . 0.0 110.87 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.417 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 5.1 ptpp? -116.05 55.62 1.23 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.537 0.684 . . . . 0.0 110.869 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.453 ' HD3' ' C ' ' A' ' 10' ' ' GLU . 54.0 Cg_endo -69.75 2.82 3.19 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.671 2.248 . . . . 0.0 112.349 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.53 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 27.9 m-85 -108.65 111.79 23.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -128.73 146.58 50.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.7 t -83.13 131.09 35.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.93 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.29 19.97 2.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.428 HG11 ' CG ' ' A' ' 35' ' ' HIS . 61.3 t -123.43 -44.89 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -117.22 -6.15 11.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? 61.42 46.14 7.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.3 mttt -96.83 174.74 6.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.49 136.77 53.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.076 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -130.76 114.3 15.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.7 p -41.65 -51.57 4.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -99.51 164.61 12.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.808 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.53 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 52.6 t60 -77.11 -51.14 11.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.465 ' O ' HG22 ' A' ' 29' ' ' THR . . . -49.43 -39.63 33.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.155 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 55.3 m -57.05 -27.77 61.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.843 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.4 tp -86.16 -52.81 5.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.465 HG22 ' O ' ' A' ' 26' ' ' ALA . 1.4 t -51.85 -26.32 9.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.131 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -88.09 -50.74 6.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 33' ' ' ARG . 12.1 t60 -48.92 -44.27 40.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 31' ' ' HIS . 25.3 mt-30 -37.85 -27.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 31' ' ' HIS . 10.7 mtm105 -53.06 -49.32 66.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.469 HG21 ' CE1' ' A' ' 31' ' ' HIS . 9.0 m -42.62 -28.5 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.108 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.428 ' CG ' HG11 ' A' ' 17' ' ' VAL . 45.7 m-70 -95.37 107.22 19.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.2 p -93.87 115.37 27.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.16 -165.55 19.89 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.473 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.36 42.54 0.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.916 0.389 . . . . 0.0 110.882 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.48 ' CD ' ' HD2' ' A' ' 40' ' ' PRO . 3.5 tppp? -101.28 139.04 20.12 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.597 0.713 . . . . 0.0 110.892 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.48 ' HD2' ' CD ' ' A' ' 39' ' ' LYS . 54.0 Cg_endo -69.76 -45.67 1.51 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.738 2.292 . . . . 0.0 112.361 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 66.8 p -77.69 134.2 38.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -167.28 -179.39 40.16 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.456 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 85.69 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.328 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.9 t -73.65 88.67 1.71 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.1 t -171.37 110.42 0.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 CA-C-O 119.177 -0.791 . . . . 0.0 112.49 179.986 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.1 t -57.77 170.28 0.62 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.845 0.355 . . . . 0.0 110.867 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.6 p -80.45 166.84 20.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.823 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.76 174.55 54.76 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.455 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -109.63 133.87 52.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.89 0.376 . . . . 0.0 110.842 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.2 m -54.9 -54.14 46.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.872 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.48 67.13 2.88 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.45 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.7 t -102.11 -28.73 12.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.823 0.344 . . . . 0.0 111.131 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 146.45 44.38 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.496 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -67.58 117.22 9.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.942 0.401 . . . . 0.0 110.91 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.4 mttp -141.83 156.04 65.87 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.606 0.717 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.549 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.81 -11.87 31.63 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.673 2.249 . . . . 0.0 112.362 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.549 ' CE2' ' HG2' ' A' ' 12' ' ' PRO . 25.9 m-85 -108.96 104.26 13.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -134.06 130.16 37.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.8 t -62.49 172.14 1.68 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -108.13 -42.01 4.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.459 ' HB ' ' CD2' ' A' ' 35' ' ' HIS . 93.3 t -71.16 -65.48 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.2 p -82.89 -25.16 32.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 52.0 mmm-85 65.91 46.86 2.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.0 tttm -97.47 156.37 16.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.05 146.55 27.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -140.28 158.9 43.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.7 t -73.37 -62.45 1.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.439 ' CE1' ' CE1' ' A' ' 25' ' ' HIS . 6.3 t-160 -106.54 143.58 34.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.479 ' CG ' ' N ' ' A' ' 26' ' ' ALA . 51.9 p-80 -43.0 -54.19 4.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.479 ' N ' ' CG ' ' A' ' 25' ' ' HIS . . . -33.61 -66.85 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 26' ' ' ALA . 1.3 t -36.93 -46.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.6 tp -72.49 -41.71 65.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.404 ' N ' ' O ' ' A' ' 26' ' ' ALA . 8.4 m -59.34 -55.98 27.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.205 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -63.09 -40.16 96.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.67 ' O ' HG22 ' A' ' 34' ' ' VAL . 11.4 t60 -58.39 -49.27 77.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 31' ' ' HIS . 43.2 mt-30 -34.5 -36.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 31' ' ' HIS . 32.9 mtp85 -41.15 -55.95 2.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.67 HG22 ' O ' ' A' ' 31' ' ' HIS . 35.1 m -39.11 -40.07 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.459 ' CD2' ' HB ' ' A' ' 17' ' ' VAL . 17.3 m-70 -82.64 128.75 34.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.1 t -81.99 -56.59 3.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 38' ' ' GLU . . . 154.87 72.86 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.466 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 37' ' ' GLY . 6.5 tm-20 -35.5 134.2 0.33 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.917 0.389 . . . . 0.0 110.918 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -38.35 100.08 0.2 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.566 0.698 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -48.3 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.673 2.248 . . . . 0.0 112.377 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 98.8 p 38.25 43.62 0.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 65.17 79.45 0.18 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.527 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.2 Cg_endo -69.83 140.57 42.75 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.662 2.241 . . . . 0.0 112.29 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 43' ' ' PRO . 49.1 m -36.84 109.67 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 94.3 p -83.32 157.49 22.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.495 179.983 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.4 p -159.94 119.4 2.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.863 0.363 . . . . 0.0 110.855 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.4 p -146.53 157.46 43.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.93 -167.77 13.69 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.466 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.7 t -147.16 132.39 18.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.904 0.383 . . . . 0.0 110.838 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.3 m -95.81 -61.71 1.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.824 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.76 82.18 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.515 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.6 p -59.58 164.83 3.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.821 0.344 . . . . 0.0 111.156 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.23 157.0 27.08 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.497 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -44.5 113.78 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.922 0.391 . . . . 0.0 110.901 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.619 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 2.1 pttm -125.77 43.79 1.02 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.542 0.687 . . . . 0.0 110.926 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.9 Cg_endo -69.7 3.08 2.95 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.685 2.257 . . . . 0.0 112.353 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.464 ' CE2' ' CB ' ' A' ' 25' ' ' HIS . 83.1 m-85 -106.15 121.94 45.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -135.75 151.14 49.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.497 ' SG ' ' NE2' ' A' ' 32' ' ' GLN . 12.3 t -87.69 131.95 34.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -84.1 24.97 0.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.811 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 67.7 t -130.6 -49.83 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.411 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 17.0 p -113.39 -4.59 13.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 65.62 34.55 7.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.496 ' HE3' ' CZ ' ' A' ' 22' ' ' PHE . 14.1 mmmt -70.31 178.85 2.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -150.29 128.36 11.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.086 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.496 ' CZ ' ' HE3' ' A' ' 20' ' ' LYS . 14.4 m-85 -131.04 175.51 9.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.8 p -91.72 -61.18 1.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -85.77 150.19 24.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.464 ' CB ' ' CE2' ' A' ' 13' ' ' TYR . 19.6 p-80 -60.27 -39.35 86.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 28' ' ' LEU . . . -57.12 -56.64 19.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.6 m -39.82 -29.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 26' ' ' ALA . 44.9 tp -83.31 -62.75 1.51 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.942 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.401 ' CG2' ' N ' ' A' ' 30' ' ' GLN . 1.5 t -46.43 -38.37 8.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.131 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.401 ' N ' ' CG2' ' A' ' 29' ' ' THR . 53.3 mt-30 -75.38 -30.1 60.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 33' ' ' ARG . 2.5 t60 -73.49 -52.93 11.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.497 ' NE2' ' SG ' ' A' ' 15' ' ' CYS . 14.7 mm-40 -33.92 -33.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -43.38 -49.18 7.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 33' ' ' ARG . 33.2 m -35.79 -33.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.421 ' N ' ' O ' ' A' ' 33' ' ' ARG . 31.5 m-70 -94.16 150.3 20.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.6 m -81.89 169.78 16.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.862 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -41.07 -77.69 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.531 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -161.57 173.6 14.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.914 0.388 . . . . 0.0 110.885 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.428 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 5.6 tmtt? 45.82 55.0 14.75 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.592 0.711 . . . . 0.0 110.857 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.428 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.5 Cg_endo -69.79 151.31 68.84 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.712 2.275 . . . . 0.0 112.341 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.8 m -106.99 147.58 29.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -156.68 140.88 7.49 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 97.21 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.698 2.265 . . . . 0.0 112.362 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.9 t -163.75 168.24 19.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.828 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.7 p -147.26 123.53 10.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.898 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 CA-C-O 119.114 -0.826 . . . . 0.0 112.467 -179.958 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.4 p -87.6 117.67 26.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.859 0.361 . . . . 0.0 110.834 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -103.86 -49.64 3.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.57 159.58 27.94 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.1 p -111.52 145.94 38.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.881 0.372 . . . . 0.0 110.87 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.3 p -67.67 175.55 2.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.821 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.47 72.14 0.9 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.548 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.6 p -126.08 103.19 7.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.807 0.337 . . . . 0.0 111.148 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.24 49.95 3.65 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.484 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.446 ' HG3' ' CD ' ' A' ' 11' ' ' LYS . 9.9 pt-20 -77.72 -26.89 50.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.944 0.402 . . . . 0.0 110.885 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.446 ' CD ' ' HG3' ' A' ' 10' ' ' GLU . 1.9 mptm? -116.68 140.67 27.06 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.565 0.698 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.575 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.79 -24.67 29.29 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.656 2.237 . . . . 0.0 112.334 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.575 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 64.8 m-85 -101.48 141.71 33.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.934 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -155.93 149.21 24.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.6 t -76.88 128.73 35.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -84.75 27.01 0.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 95.0 t -131.99 -48.62 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -112.88 -8.25 13.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 63.59 48.23 3.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -98.82 148.81 23.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.75 144.1 27.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.081 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.612 ' CE1' HD13 ' A' ' 28' ' ' LEU . 88.5 m-85 -134.49 133.73 40.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.2 m -53.31 -39.97 64.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.477 ' CE1' ' OG ' ' A' ' 27' ' ' SER . 1.2 p80 -135.59 175.51 9.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.843 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.483 ' H ' ' CD2' ' A' ' 25' ' ' HIS . 7.5 p80 -70.46 -54.6 11.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.82 -36.35 1.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.477 ' OG ' ' CE1' ' A' ' 24' ' ' HIS . 1.8 m -67.46 -35.79 79.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.612 HD13 ' CE1' ' A' ' 22' ' ' PHE . 21.9 tp -82.02 -52.59 6.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.949 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 t -46.65 -37.09 7.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -76.89 -52.49 9.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.802 ' O ' HG22 ' A' ' 34' ' ' VAL . 3.1 t60 -52.14 -49.87 62.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 31' ' ' HIS . 29.8 mm-40 -34.7 -46.24 0.28 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 34' ' ' VAL . 2.1 mpt_? -41.05 -48.73 3.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.802 HG22 ' O ' ' A' ' 31' ' ' HIS . 33.8 m -33.81 -37.94 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.174 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.405 ' N ' ' O ' ' A' ' 33' ' ' ARG . 22.9 m-70 -90.49 130.1 36.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.1 t -121.75 -49.52 2.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 129.98 -53.96 0.8 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.505 ' OE2' ' N ' ' A' ' 39' ' ' LYS . 4.3 tm-20 -67.63 172.8 4.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.895 0.379 . . . . 0.0 110.875 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.53 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 0.0 OUTLIER 40.13 49.26 2.71 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.569 0.7 . . . . 0.0 110.863 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.6 Cg_endo -69.76 86.99 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.689 2.259 . . . . 0.0 112.317 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.4 p -106.19 109.88 21.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.844 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.21 151.76 35.35 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.6 Cg_endo -69.75 1.78 4.12 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.64 2.226 . . . . 0.0 112.339 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 43' ' ' PRO . 68.6 m -35.04 111.47 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 t -61.48 139.6 58.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.88 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.505 179.998 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_